methyl 4-[[2-[1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]ethylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]ethylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[5-oxo-1-(p-tolylmethyl)pyrrolidin-2-yl]ethylamino]methyl]benzoate CAS Name: 4-[[2-[1-[(4-methylphenyl)methyl]-5-oxo-2-pyrrolidinyl]ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate Traditional Name: 4-[[2-[5-keto-1-(4-methylbenzyl)pyrrolidin-2-yl]ethylamino]methyl]benzoic acid methyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(CCC2=O)CCNCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(CCC2=O)CCNCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H28N2O3/c1-17-3-5-19(6-4-17)16-25-21(11-12-22(25)26)13-14-24-15-18-7-9-20(10-8-18)23(27)28-2/h3-10,21,24H,11-16H2,1-2H3