[1-[(2,4-dimethoxyphenyl)methyl]-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-azepin-3-yl] ethanoate

Systemtic Name: [1-[(2,4-dimethoxyphenyl)methyl]-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-azepin-3-yl] ethanoate Openeye Name: [6-(benzyloxycarbonylamino)-1-[(2,4-dimethoxyphenyl)methyl]-7-oxo-3,4-dihydro-2H-azepin-3-yl] acetate CAS Name: acetic acid [1-[(2,4-dimethoxyphenyl)methyl]-7-oxo-6-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-azepin-3-yl] ester IUPAC Name: [1-[(2,4-dimethoxyphenyl)methyl]-7-oxo-6-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-azepin-3-yl] acetate Traditional Name: acetic acid [6-(benzyloxycarbonylamino)-1-(2,4-dimethoxybenzyl)-7-keto-3,4-dihydro-2H-azepin-3-yl] ester Formula: C25H28N2O7 MolecularWeight: 468.49902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC=C(C(=O)N(C1)CC2=C(C=C(C=C2)OC)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1CC=C(C(=O)N(C1)CC2=C(C=C(C=C2)OC)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O7/c1-17(28)34-21-11-12-22(26-25(30)33-16-18-7-5-4-6-8-18)24(29)27(15-21)14-19-9-10-20(31-2)13-23(19)32-3/h4-10,12-13,21H,11,14-16H2,1-3H3,(H,26,30)