(phenylmethyl) 2-[2-[hydroxymethyl-(phenylmethyl)amino]-2-oxidanylidene-1-[3-(4-phenylphenyl)pyrrol-1-yl]ethyl]pent-4-enoate

Systemtic Name: (phenylmethyl) 2-[2-[hydroxymethyl-(phenylmethyl)amino]-2-oxidanylidene-1-[3-(4-phenylphenyl)pyrrol-1-yl]ethyl]pent-4-enoate Openeye Name: benzyl 2-[2-[benzyl(hydroxymethyl)amino]-2-oxo-1-[3-(4-phenylphenyl)pyrrol-1-yl]ethyl]pent-4-enoate CAS Name: 2-[2-[hydroxymethyl-(phenylmethyl)amino]-2-oxo-1-[3-(4-phenylphenyl)-1-pyrrolyl]ethyl]-4-pentenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[benzyl(hydroxymethyl)amino]-2-oxo-1-[3-(4-phenylphenyl)pyrrol-1-yl]ethyl]pent-4-enoate Traditional Name: 2-[2-[benzyl(methylol)amino]-2-keto-1-[3-(4-phenylphenyl)pyrrol-1-yl]ethyl]pent-4-enoic acid benzyl ester Formula: C38H36N2O4 MolecularWeight: 584.70344

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(C(=O)N(CC1=CC=CC=C1)CO)N2C=CC(=C2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C=CCC(C(C(=O)N(CC1=CC=CC=C1)CO)N2C=CC(=C2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C38H36N2O4/c1-2-12-35(38(43)44-27-30-15-8-4-9-16-30)36(37(42)40(28-41)25-29-13-6-3-7-14-29)39-24-23-34(26-39)33-21-19-32(20-22-33)31-17-10-5-11-18-31/h2-11,13-24,26,35-36,41H,1,12,25,27-28H2