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

Systemtic Name: 4-[(3-ethoxypropylamino)methyl]-2,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-3-carboxylic acid Openeye Name: 4-[(3-ethoxypropylamino)methyl]-2,5-dimethyl-1-(o-tolylmethyl)pyrrole-3-carboxylic acid CAS Name: 4-[(3-ethoxypropylamino)methyl]-2,5-dimethyl-1-[(2-methylphenyl)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 4-[(3-ethoxypropylamino)methyl]-2,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-3-carboxylic acid Traditional Name: 4-[(3-ethoxypropylamino)methyl]-2,5-dimethyl-1-(2-methylbenzyl)pyrrole-3-carboxylic acid Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNCC1=C(N(C(=C1C(=O)O)C)CC2=CC=CC=C2C)C

Isomeric SMILES

CCOCCCNCC1=C(N(C(=C1C(=O)O)C)CC2=CC=CC=C2C)C

InChI

InChI=1S/C21H30N2O3/c1-5-26-12-8-11-22-13-19-16(3)23(17(4)20(19)21(24)25)14-18-10-7-6-9-15(18)2/h6-7,9-10,22H,5,8,11-14H2,1-4H3,(H,24,25)