[2-[1-(2-azanyl-2-oxidanylidene-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-phenylbenzoate

Systemtic Name: [2-[1-(2-azanyl-2-oxidanylidene-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-phenylbenzoate Openeye Name: [2-[1-(2-amino-2-oxo-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-[1-(2-amino-2-oxoethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-amino-2-oxoethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-[1-(2-amino-2-keto-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(=O)N)C)C(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC(=O)N)C)C(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4/c1-15-12-20(16(2)25(15)13-22(24)27)21(26)14-29-23(28)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H2,24,27)