[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (Z)-4-oxidanylidene-4-[(phenylmethyl)amino]but-2-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (Z)-4-oxidanylidene-4-[(phenylmethyl)amino]but-2-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (Z)-4-(benzylamino)-4-oxo-but-2-enoate CAS Name: (Z)-4-oxo-4-[(phenylmethyl)amino]-2-butenoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (Z)-4-(benzylamino)-4-oxobut-2-enoate Traditional Name: (Z)-4-(benzylamino)-4-keto-but-2-enoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=CC(=O)NCC2=CC=CC=C2)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C=C\C(=O)NCC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C21H29NO3/c1-15(2)18-10-9-16(3)13-19(18)25-21(24)12-11-20(23)22-14-17-7-5-4-6-8-17/h4-8,11-12,15-16,18-19H,9-10,13-14H2,1-3H3,(H,22,23)/b12-11-/t16-,18+,19-/m1/s1