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

Systemtic Name: 2,5-dimethyl-1-(phenylmethyl)-4-[(2-phenylpropylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-2,5-dimethyl-4-[(2-phenylpropylamino)methyl]pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-(phenylmethyl)-4-[(2-phenylpropylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-2,5-dimethyl-4-[(2-phenylpropylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 1-benzyl-2,5-dimethyl-4-[(2-phenylpropylamino)methyl]pyrrole-3-carboxylic acid Formula: C24H28N2O2 MolecularWeight: 376.49132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNCC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNCC(C)C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O2/c1-17(21-12-8-5-9-13-21)14-25-15-22-18(2)26(19(3)23(22)24(27)28)16-20-10-6-4-7-11-20/h4-13,17,25H,14-16H2,1-3H3,(H,27,28)