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

Systemtic Name: 3-[(cycloheptylamino)methyl]-6-methoxy-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[(cycloheptylamino)methyl]-6-methoxy-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-[(cycloheptylamino)methyl]-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[(cycloheptylamino)methyl]-6-methoxy-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[(cycloheptylamino)methyl]-6-methoxy-1-p-anisyl-indole-2-carboxylic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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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)CNC4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)OC)C(=C2C(=O)O)CNC4CCCCCC4

InChI

InChI=1S/C26H32N2O4/c1-31-20-11-9-18(10-12-20)17-28-24-15-21(32-2)13-14-22(24)23(25(28)26(29)30)16-27-19-7-5-3-4-6-8-19/h9-15,19,27H,3-8,16-17H2,1-2H3,(H,29,30)