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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O2/c1-18-22(16-25-15-9-14-20-10-5-3-6-11-20)23(24(27)28)19(2)26(18)17-21-12-7-4-8-13-21/h3-8,10-13,25H,9,14-17H2,1-2H3,(H,27,28)