[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-benzamidopent-4-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-benzamidopent-4-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-benzamidopent-4-enoate CAS Name: (2S)-2-benzamido-4-pentenoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-benzamidopent-4-enoate Traditional Name: (2S)-2-benzamidopent-4-enoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CC=C)NC(=O)C2=CC=CC=C2)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H](CC=C)NC(=O)C2=CC=CC=C2)C(C)C

InChI

InChI=1S/C22H31NO3/c1-5-9-19(23-21(24)17-10-7-6-8-11-17)22(25)26-20-14-16(4)12-13-18(20)15(2)3/h5-8,10-11,15-16,18-20H,1,9,12-14H2,2-4H3,(H,23,24)/t16-,18+,19+,20-/m1/s1