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

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-4-[[(1-methyl-3-phenyl-propyl)amino]methyl]-1-[(4-vinylphenyl)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-4-[[(1-methyl-3-phenyl-propyl)amino]methyl]-1-(4-vinylbenzyl)pyrrole-3-carboxylic acid Formula: C27H32N2O2 MolecularWeight: 416.55518

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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)CNC(C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=C(C=C2)C=C)C)C(=O)O)CNC(C)CCC3=CC=CC=C3

InChI

InChI=1S/C27H32N2O2/c1-5-22-13-15-24(16-14-22)18-29-20(3)25(26(21(29)4)27(30)31)17-28-19(2)11-12-23-9-7-6-8-10-23/h5-10,13-16,19,28H,1,11-12,17-18H2,2-4H3,(H,30,31)