ethyl 4-[[3-[(phenylmethyl)carbamoyl]-4-pyrrolidin-1-yl-phenyl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[3-[(phenylmethyl)carbamoyl]-4-pyrrolidin-1-yl-phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[3-(benzylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]carbamoylamino]benzoate CAS Name: 4-[[oxo-[3-[oxo-[(phenylmethyl)amino]methyl]-4-(1-pyrrolidinyl)anilino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(benzylcarbamoyl)-4-pyrrolidin-1-ylphenyl]carbamoylamino]benzoate Traditional Name: 4-[[3-(benzylcarbamoyl)-4-pyrrolidino-phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O4/c1-2-36-27(34)21-10-12-22(13-11-21)30-28(35)31-23-14-15-25(32-16-6-7-17-32)24(18-23)26(33)29-19-20-8-4-3-5-9-20/h3-5,8-15,18H,2,6-7,16-17,19H2,1H3,(H,29,33)(H2,30,31,35)