[2-[furan-2-ylmethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-[furan-2-ylmethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[benzyl(2-furylmethyl)amino]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[2-furanylmethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-[benzyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C25H22N2O4/c28-24(27(18-23-9-6-16-30-23)17-20-7-2-1-3-8-20)19-31-25(29)21-10-12-22(13-11-21)26-14-4-5-15-26/h1-16H,17-19H2