[5,5-dimethyl-3-oxidanylidene-4-(phenylmethyl)cyclohexen-1-yl] (2S)-3-methyl-2-[(3-methylphenyl)methoxycarbonylamino]butanoate

Systemtic Name: [5,5-dimethyl-3-oxidanylidene-4-(phenylmethyl)cyclohexen-1-yl] (2S)-3-methyl-2-[(3-methylphenyl)methoxycarbonylamino]butanoate Openeye Name: (4-benzyl-5,5-dimethyl-3-oxo-cyclohexen-1-yl) (2S)-3-methyl-2-(m-tolylmethoxycarbonylamino)butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)methoxy-oxomethyl]amino]butanoic acid [5,5-dimethyl-3-oxo-4-(phenylmethyl)-1-cyclohexenyl] ester IUPAC Name: (4-benzyl-5,5-dimethyl-3-oxocyclohexen-1-yl) (2S)-3-methyl-2-[(3-methylphenyl)methoxycarbonylamino]butanoate Traditional Name: (2S)-3-methyl-2-[(3-methylbenzyl)oxycarbonylamino]butyric acid (4-benzyl-3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C29H35NO5 MolecularWeight: 477.5919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)NC(C(C)C)C(=O)OC2=CC(=O)C(C(C2)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)N[C@@H](C(C)C)C(=O)OC2=CC(=O)C(C(C2)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C29H35NO5/c1-19(2)26(30-28(33)34-18-22-13-9-10-20(3)14-22)27(32)35-23-16-25(31)24(29(4,5)17-23)15-21-11-7-6-8-12-21/h6-14,16,19,24,26H,15,17-18H2,1-5H3,(H,30,33)/t24?,26-/m0/s1