[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[[2-(morpholinomethyl)phenyl]methylamino]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[[2-(4-morpholinylmethyl)phenyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-keto-2-[[2-(morpholinomethyl)benzyl]amino]ethyl] ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=CC=C2CNC(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1COCCN1CC2=CC=CC=C2CNC(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C25H27N3O4/c29-24(19-32-25(30)20-7-9-23(10-8-20)28-11-3-4-12-28)26-17-21-5-1-2-6-22(21)18-27-13-15-31-16-14-27/h1-12H,13-19H2,(H,26,29)