tert-butyl (3S)-3-[(1S)-1-(3-chlorophenyl)-2-methoxycarbonyl-prop-2-enyl]-2-oxidanylidene-3-phenyl-indole-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(1S)-1-(3-chlorophenyl)-2-methoxycarbonyl-prop-2-enyl]-2-oxidanylidene-3-phenyl-indole-1-carboxylate Openeye Name: tert-butyl (3S)-3-[(1S)-1-(3-chlorophenyl)-2-methoxycarbonyl-allyl]-2-oxo-3-phenyl-indoline-1-carboxylate CAS Name: (3S)-3-[(1S)-1-(3-chlorophenyl)-2-methoxycarbonylprop-2-enyl]-2-oxo-3-phenyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(1S)-1-(3-chlorophenyl)-2-methoxycarbonylprop-2-enyl]-2-oxo-3-phenylindole-1-carboxylate Traditional Name: (3S)-3-[(1S)-2-carbomethoxy-1-(3-chlorophenyl)allyl]-2-keto-3-phenyl-indoline-1-carboxylic acid tert-butyl ester Formula: C30H28ClNO5 MolecularWeight: 518.00002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)C(C4=CC(=CC=C4)Cl)C(=C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2[C@@](C1=O)(C3=CC=CC=C3)[C@H](C4=CC(=CC=C4)Cl)C(=C)C(=O)OC

InChI

InChI=1S/C30H28ClNO5/c1-19(26(33)36-5)25(20-12-11-15-22(31)18-20)30(21-13-7-6-8-14-21)23-16-9-10-17-24(23)32(27(30)34)28(35)37-29(2,3)4/h6-18,25H,1H2,2-5H3/t25-,30-/m0/s1