6-methoxy-1-[(4-methoxyphenyl)methyl]-3-[[(4-methylsulfanylphenyl)methylamino]methyl]indole-2-carboxylic acid

Systemtic Name: 6-methoxy-1-[(4-methoxyphenyl)methyl]-3-[[(4-methylsulfanylphenyl)methylamino]methyl]indole-2-carboxylic acid Openeye Name: 6-methoxy-1-[(4-methoxyphenyl)methyl]-3-[[(4-methylsulfanylphenyl)methylamino]methyl]indole-2-carboxylic acid CAS Name: 6-methoxy-1-[(4-methoxyphenyl)methyl]-3-[[[4-(methylthio)phenyl]methylamino]methyl]-2-indolecarboxylic acid IUPAC Name: 6-methoxy-1-[(4-methoxyphenyl)methyl]-3-[[(4-methylsulfanylphenyl)methylamino]methyl]indole-2-carboxylic acid Traditional Name: 6-methoxy-3-[[[4-(methylthio)benzyl]amino]methyl]-1-p-anisyl-indole-2-carboxylic acid Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)OC)C(=C2C(=O)O)CNCC4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)OC)C(=C2C(=O)O)CNCC4=CC=C(C=C4)SC

InChI

InChI=1S/C27H28N2O4S/c1-32-20-8-4-19(5-9-20)17-29-25-14-21(33-2)10-13-23(25)24(26(29)27(30)31)16-28-15-18-6-11-22(34-3)12-7-18/h4-14,28H,15-17H2,1-3H3,(H,30,31)