[2-[[4-[methyl(propyl)carbamoyl]phenyl]-phenethyl-amino]pyrrolidin-3-yl] benzoate

Systemtic Name: [2-[[4-[methyl(propyl)carbamoyl]phenyl]-phenethyl-amino]pyrrolidin-3-yl] benzoate Openeye Name: [2-[4-[methyl(propyl)carbamoyl]-N-phenethyl-anilino]pyrrolidin-3-yl] benzoate CAS Name: benzoic acid [2-[4-[[methyl(propyl)amino]-oxomethyl]-N-phenethylanilino]-3-pyrrolidinyl] ester IUPAC Name: [2-[4-[methyl(propyl)carbamoyl]-N-phenethylanilino]pyrrolidin-3-yl] benzoate Traditional Name: benzoic acid [2-[4-[methyl(propyl)carbamoyl]-N-phenethyl-anilino]pyrrolidin-3-yl] ester Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C(=O)C1=CC=C(C=C1)N(CCC2=CC=CC=C2)C3C(CCN3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCN(C)C(=O)C1=CC=C(C=C1)N(CCC2=CC=CC=C2)C3C(CCN3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H35N3O3/c1-3-21-32(2)29(34)24-14-16-26(17-15-24)33(22-19-23-10-6-4-7-11-23)28-27(18-20-31-28)36-30(35)25-12-8-5-9-13-25/h4-17,27-28,31H,3,18-22H2,1-2H3