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

Systemtic Name: 2,5-dimethyl-1-(phenylmethyl)-4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-4-[[(4-isopropoxyphenyl)methylamino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-(phenylmethyl)-4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-2,5-dimethyl-4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrole-3-carboxylic acid Traditional Name: 1-benzyl-4-[[(4-isopropoxybenzyl)amino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3/c1-17(2)30-22-12-10-20(11-13-22)14-26-15-23-18(3)27(19(4)24(23)25(28)29)16-21-8-6-5-7-9-21/h5-13,17,26H,14-16H2,1-4H3,(H,28,29)