1-[(3-chlorophenyl)methyl]-3-[[(4-methoxyphenyl)methylamino]methyl]indole-2-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)methyl]-3-[[(4-methoxyphenyl)methylamino]methyl]indole-2-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)methyl]-3-[[(4-methoxyphenyl)methylamino]methyl]indole-2-carboxylic acid CAS Name: 1-[(3-chlorophenyl)methyl]-3-[[(4-methoxyphenyl)methylamino]methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)methyl]-3-[[(4-methoxyphenyl)methylamino]methyl]indole-2-carboxylic acid Traditional Name: 1-(3-chlorobenzyl)-3-[(p-anisylamino)methyl]indole-2-carboxylic acid Formula: C25H23ClN2O3 MolecularWeight: 434.91472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNCC2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)Cl)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CNCC2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C25H23ClN2O3/c1-31-20-11-9-17(10-12-20)14-27-15-22-21-7-2-3-8-23(21)28(24(22)25(29)30)16-18-5-4-6-19(26)13-18/h2-13,27H,14-16H2,1H3,(H,29,30)