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

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(2-phenylpropylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(2-phenylpropylamino)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(2-phenylpropylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-[(2-phenylpropylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 1-m-anisyl-2,5-dimethyl-4-[(2-phenylpropylamino)methyl]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)OC)C)C(=O)O)CNCC(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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