methyl 4-[(1-methyl-5-pyrrolidin-1-ylcarbonyl-pyrrol-3-yl)-(phenylmethyl)amino]benzoate

Systemtic Name: methyl 4-[(1-methyl-5-pyrrolidin-1-ylcarbonyl-pyrrol-3-yl)-(phenylmethyl)amino]benzoate Openeye Name: methyl 4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzoate CAS Name: 4-[[1-methyl-5-[oxo(1-pyrrolidinyl)methyl]-3-pyrrolyl]-(phenylmethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzoate Traditional Name: 4-[benzyl-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]amino]benzoic acid methyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCCC2)N(CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCCC2)N(CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H27N3O3/c1-26-18-22(16-23(26)24(29)27-14-6-7-15-27)28(17-19-8-4-3-5-9-19)21-12-10-20(11-13-21)25(30)31-2/h3-5,8-13,16,18H,6-7,14-15,17H2,1-2H3