(phenylmethyl) 4-(methylamino)-4-oxidanylidene-3-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoate

Systemtic Name: (phenylmethyl) 4-(methylamino)-4-oxidanylidene-3-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoate Openeye Name: benzyl 4-(methylamino)-4-oxo-3-[3-[4-(4-pyridyl)phenyl]pyrrol-1-yl]butanoate CAS Name: 4-(methylamino)-4-oxo-3-[3-(4-pyridin-4-ylphenyl)-1-pyrrolyl]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(methylamino)-4-oxo-3-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoate Traditional Name: 4-keto-4-(methylamino)-3-[3-[4-(4-pyridyl)phenyl]pyrrol-1-yl]butyric acid benzyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC(=O)OCC1=CC=CC=C1)N2C=CC(=C2)C3=CC=C(C=C3)C4=CC=NC=C4

Isomeric SMILES

CNC(=O)C(CC(=O)OCC1=CC=CC=C1)N2C=CC(=C2)C3=CC=C(C=C3)C4=CC=NC=C4

InChI

InChI=1S/C27H25N3O3/c1-28-27(32)25(17-26(31)33-19-20-5-3-2-4-6-20)30-16-13-24(18-30)22-9-7-21(8-10-22)23-11-14-29-15-12-23/h2-16,18,25H,17,19H2,1H3,(H,28,32)