6-methyl-1-[(4-methylphenyl)methyl]-3-[[(4-propan-2-yloxyphenyl)methylamino]methyl]indole-2-carboxylic acid

Systemtic Name: 6-methyl-1-[(4-methylphenyl)methyl]-3-[[(4-propan-2-yloxyphenyl)methylamino]methyl]indole-2-carboxylic acid Openeye Name: 3-[[(4-isopropoxyphenyl)methylamino]methyl]-6-methyl-1-(p-tolylmethyl)indole-2-carboxylic acid CAS Name: 6-methyl-1-[(4-methylphenyl)methyl]-3-[[(4-propan-2-yloxyphenyl)methylamino]methyl]-2-indolecarboxylic acid IUPAC Name: 6-methyl-1-[(4-methylphenyl)methyl]-3-[[(4-propan-2-yloxyphenyl)methylamino]methyl]indole-2-carboxylic acid Traditional Name: 3-[[(4-isopropoxybenzyl)amino]methyl]-6-methyl-1-(4-methylbenzyl)indole-2-carboxylic acid Formula: C29H32N2O3 MolecularWeight: 456.57598

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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(C=C4)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C)C(=C2C(=O)O)CNCC4=CC=C(C=C4)OC(C)C

InChI

InChI=1S/C29H32N2O3/c1-19(2)34-24-12-10-22(11-13-24)16-30-17-26-25-14-7-21(4)15-27(25)31(28(26)29(32)33)18-23-8-5-20(3)6-9-23/h5-15,19,30H,16-18H2,1-4H3,(H,32,33)