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

Systemtic Name: 2,5-dimethyl-4-[(1-phenylbutan-2-ylamino)methyl]-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-4-[(1-benzylpropylamino)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-4-[(1-phenylbutan-2-ylamino)methyl]-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-2,5-dimethyl-4-[(1-phenylbutan-2-ylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 1-benzyl-4-[(1-benzylpropylamino)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)NCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)NCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H30N2O2/c1-4-22(15-20-11-7-5-8-12-20)26-16-23-18(2)27(19(3)24(23)25(28)29)17-21-13-9-6-10-14-21/h5-14,22,26H,4,15-17H2,1-3H3,(H,28,29)