[1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylbenzoate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC(=CC=C2)N3C=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC(=CC=C2)N3C=CC=C3

InChI

InChI=1S/C22H22N2O4/c1-16(21(25)23-15-17-8-10-20(27-2)11-9-17)28-22(26)18-6-5-7-19(14-18)24-12-3-4-13-24/h3-14,16H,15H2,1-2H3,(H,23,25)