1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[[(5-methylfuran-2-yl)methylamino]methyl]pyrrole-3-carboxylic acid

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[[(5-methylfuran-2-yl)methylamino]methyl]pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-4-[[(5-methyl-2-furyl)methylamino]methyl]-1-[(4-vinylphenyl)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[[(5-methyl-2-furanyl)methylamino]methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[[(5-methylfuran-2-yl)methylamino]methyl]pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-4-[[(5-methyl-2-furyl)methylamino]methyl]-1-(4-vinylbenzyl)pyrrole-3-carboxylic acid Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC=C(C=C3)C=C)C

Isomeric SMILES

CC1=CC=C(O1)CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC=C(C=C3)C=C)C

InChI

InChI=1S/C23H26N2O3/c1-5-18-7-9-19(10-8-18)14-25-16(3)21(22(17(25)4)23(26)27)13-24-12-20-11-6-15(2)28-20/h5-11,24H,1,12-14H2,2-4H3,(H,26,27)