6-methyl-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 6-methyl-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 6-methyl-3-[[(5-methyl-2-furyl)methylamino]methyl]-1-(p-tolylmethyl)indole-2-carboxylic acid CAS Name: 6-methyl-3-[[(5-methyl-2-furanyl)methylamino]methyl]-1-[(4-methylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 6-methyl-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 6-methyl-1-(4-methylbenzyl)-3-[[(5-methyl-2-furyl)methylamino]methyl]indole-2-carboxylic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C)C(=C2C(=O)O)CNCC4=CC=C(O4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C)C(=C2C(=O)O)CNCC4=CC=C(O4)C

InChI

InChI=1S/C25H26N2O3/c1-16-4-8-19(9-5-16)15-27-23-12-17(2)6-11-21(23)22(24(27)25(28)29)14-26-13-20-10-7-18(3)30-20/h4-12,26H,13-15H2,1-3H3,(H,28,29)