[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 1-(phenylmethyl)cyclohexane-1-carboxylate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 1-(phenylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 1-benzylcyclohexanecarboxylate CAS Name: 1-(phenylmethyl)-1-cyclohexanecarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 1-benzylcyclohexane-1-carboxylate Traditional Name: 1-benzylcyclohexanecarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2(CCCCC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2(CCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C27H33NO4/c1-21(29)28-18-8-11-22-12-14-24(15-13-22)25(30)20-32-26(31)27(16-6-3-7-17-27)19-23-9-4-2-5-10-23/h2,4-5,9-10,12-15H,3,6-8,11,16-20H2,1H3,(H,28,29)