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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3)C

InChI

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