[(1Z,4R,6E)-7-chloranyl-1-[[(2S)-3,3-dimethyl-2-[[(2Z,4Z,6E,8S)-6-methyl-8-phenyl-nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate

Systemtic Name: [(1Z,4R,6E)-7-chloranyl-1-[[(2S)-3,3-dimethyl-2-[[(2Z,4Z,6E,8S)-6-methyl-8-phenyl-nona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate Openeye Name: [(E,1R)-4-chloro-1-[(Z)-3-[[(2S)-3,3-dimethyl-2-[[(2Z,4Z,6E,8S)-6-methyl-8-phenyl-nona-2,4,6-trienoyl]amino]butanoyl]amino]allyl]pent-3-enyl] carbamate CAS Name: carbamic acid [(1Z,4R,6E)-7-chloro-1-[[(2S)-3,3-dimethyl-2-[[(2Z,4Z,6E,8S)-6-methyl-1-oxo-8-phenylnona-2,4,6-trienyl]amino]-1-oxobutyl]amino]octa-1,6-dien-4-yl] ester IUPAC Name: [(1Z,4R,6E)-7-chloro-1-[[(2S)-3,3-dimethyl-2-[[(2Z,4Z,6E,8S)-6-methyl-8-phenylnona-2,4,6-trienoyl]amino]butanoyl]amino]octa-1,6-dien-4-yl] carbamate Traditional Name: carbamic acid [(E,1R)-4-chloro-1-[(Z)-3-[[(2S)-3,3-dimethyl-2-[[(2Z,4Z,6E,8S)-6-methyl-8-phenyl-nona-2,4,6-trienoyl]amino]butanoyl]amino]allyl]pent-3-enyl] ester Formula: C31H42ClN3O4 MolecularWeight: 556.13588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C)C=CC=CC(=O)NC(C(=O)NC=CCC(CC=C(C)Cl)OC(=O)N)C(C)(C)C)C1=CC=CC=C1

Isomeric SMILES

C[C@@H](/C=C(\C)/C=C\C=C/C(=O)N[C@H](C(=O)N/C=C\C[C@H](C/C=C(\C)/Cl)OC(=O)N)C(C)(C)C)C1=CC=CC=C1

InChI

InChI=1S/C31H42ClN3O4/c1-22(21-23(2)25-14-8-7-9-15-25)13-10-11-17-27(36)35-28(31(4,5)6)29(37)34-20-12-16-26(39-30(33)38)19-18-24(3)32/h7-15,17-18,20-21,23,26,28H,16,19H2,1-6H3,(H2,33,38)(H,34,37)(H,35,36)/b13-10-,17-11-,20-12-,22-21+,24-18+/t23-,26+,28+/m0/s1