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

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[(2-phenylpropylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-4-[(2-phenylpropylamino)methyl]-1-[(4-vinylphenyl)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[(2-phenylpropylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[(2-phenylpropylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-4-[(2-phenylpropylamino)methyl]-1-(4-vinylbenzyl)pyrrole-3-carboxylic acid Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2/c1-5-21-11-13-22(14-12-21)17-28-19(3)24(25(20(28)4)26(29)30)16-27-15-18(2)23-9-7-6-8-10-23/h5-14,18,27H,1,15-17H2,2-4H3,(H,29,30)