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

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrole-3-carboxylic acid Openeye Name: 4-[[(4-isopropoxyphenyl)methylamino]methyl]-2,5-dimethyl-1-[(4-vinylphenyl)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrole-3-carboxylic acid Traditional Name: 4-[[(4-isopropoxybenzyl)amino]methyl]-2,5-dimethyl-1-(4-vinylbenzyl)pyrrole-3-carboxylic acid Formula: C27H32N2O3 MolecularWeight: 432.55458

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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)CNCC3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=C(C=C2)C=C)C)C(=O)O)CNCC3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C27H32N2O3/c1-6-21-7-9-23(10-8-21)17-29-19(4)25(26(20(29)5)27(30)31)16-28-15-22-11-13-24(14-12-22)32-18(2)3/h6-14,18,28H,1,15-17H2,2-5H3,(H,30,31)