1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-[(3-phenylpropylamino)methyl]pyrrole-3-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-[(3-phenylpropylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-[(3-phenylpropylamino)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-[(3-phenylpropylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-[(3-phenylpropylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 1-(4-chlorobenzyl)-2,5-dimethyl-4-[(3-phenylpropylamino)methyl]pyrrole-3-carboxylic acid Formula: C24H27ClN2O2 MolecularWeight: 410.93638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=C(C=C2)Cl)C)C(=O)O)CNCCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=C(C=C2)Cl)C)C(=O)O)CNCCCC3=CC=CC=C3

InChI

InChI=1S/C24H27ClN2O2/c1-17-22(15-26-14-6-9-19-7-4-3-5-8-19)23(24(28)29)18(2)27(17)16-20-10-12-21(25)13-11-20/h3-5,7-8,10-13,26H,6,9,14-16H2,1-2H3,(H,28,29)