[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl] 4-(acetamidomethyl)benzoate

Systemtic Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl] 4-(acetamidomethyl)benzoate Openeye Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxo-ethyl] 4-(acetamidomethyl)benzoate CAS Name: 4-(acetamidomethyl)benzoic acid [2-[1-cyclohexenyl(cyclopropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 4-(acetamidomethyl)benzoate Traditional Name: 4-(acetamidomethyl)benzoic acid [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-keto-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)N(C2CC2)C3=CCCCC3

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)N(C2CC2)C3=CCCCC3

InChI

InChI=1S/C21H26N2O4/c1-15(24)22-13-16-7-9-17(10-8-16)21(26)27-14-20(25)23(19-11-12-19)18-5-3-2-4-6-18/h5,7-10,19H,2-4,6,11-14H2,1H3,(H,22,24)