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

Systemtic Name: 3-[[(4-ethoxyphenyl)methylamino]methyl]-6-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[[(4-ethoxyphenyl)methylamino]methyl]-6-methyl-1-(p-tolylmethyl)indole-2-carboxylic acid CAS Name: 3-[[(4-ethoxyphenyl)methylamino]methyl]-6-methyl-1-[(4-methylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[[(4-ethoxyphenyl)methylamino]methyl]-6-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[[(4-ethoxybenzyl)amino]methyl]-6-methyl-1-(4-methylbenzyl)indole-2-carboxylic acid Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNCC2=C(N(C3=C2C=CC(=C3)C)CC4=CC=C(C=C4)C)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CNCC2=C(N(C3=C2C=CC(=C3)C)CC4=CC=C(C=C4)C)C(=O)O

InChI

InChI=1S/C28H30N2O3/c1-4-33-23-12-10-21(11-13-23)16-29-17-25-24-14-7-20(3)15-26(24)30(27(25)28(31)32)18-22-8-5-19(2)6-9-22/h5-15,29H,4,16-18H2,1-3H3,(H,31,32)