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

Systemtic Name: 6-methyl-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 6-methyl-3-[[(5-methyl-2-furyl)methylamino]methyl]-1-(o-tolylmethyl)indole-2-carboxylic acid CAS Name: 6-methyl-3-[[(5-methyl-2-furanyl)methylamino]methyl]-1-[(2-methylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 6-methyl-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 6-methyl-1-(2-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=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3C)C(=O)O)CNCC4=CC=C(O4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3C)C(=O)O)CNCC4=CC=C(O4)C

InChI

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