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

Systemtic Name: 6-methoxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 6-methoxy-3-[[(5-methyl-2-furyl)methylamino]methyl]-1-(o-tolylmethyl)indole-2-carboxylic acid CAS Name: 6-methoxy-3-[[(5-methyl-2-furanyl)methylamino]methyl]-1-[(2-methylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 6-methoxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 6-methoxy-1-(2-methylbenzyl)-3-[[(5-methyl-2-furyl)methylamino]methyl]indole-2-carboxylic acid Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)OC)C(=C2C(=O)O)CNCC4=CC=C(O4)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)OC)C(=C2C(=O)O)CNCC4=CC=C(O4)C

InChI

InChI=1S/C25H26N2O4/c1-16-6-4-5-7-18(16)15-27-23-12-19(30-3)10-11-21(23)22(24(27)25(28)29)14-26-13-20-9-8-17(2)31-20/h4-12,26H,13-15H2,1-3H3,(H,28,29)