ethyl 4-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methylcarbamoylamino]benzoate

Systemtic Name: ethyl 4-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methylcarbamoylamino]benzoate Openeye Name: ethyl 4-[[1-(p-tolylmethyl)pyrrolidin-3-yl]methylcarbamoylamino]benzoate CAS Name: 4-[[[[1-[(4-methylphenyl)methyl]-3-pyrrolidinyl]methylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methylcarbamoylamino]benzoate Traditional Name: 4-[[1-(4-methylbenzyl)pyrrolidin-3-yl]methylcarbamoylamino]benzoic acid ethyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2CCN(C2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2CCN(C2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C23H29N3O3/c1-3-29-22(27)20-8-10-21(11-9-20)25-23(28)24-14-19-12-13-26(16-19)15-18-6-4-17(2)5-7-18/h4-11,19H,3,12-16H2,1-2H3,(H2,24,25,28)