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

Systemtic Name: 3-[(cyclohexylamino)methyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-indole-2-carboxylic acid Openeye Name: 3-[(cyclohexylamino)methyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-indole-2-carboxylic acid CAS Name: 3-[(cyclohexylamino)methyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-indolecarboxylic acid IUPAC Name: 3-[(cyclohexylamino)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylindole-2-carboxylic acid Traditional Name: 3-[(cyclohexylamino)methyl]-6-methyl-1-p-anisyl-indole-2-carboxylic acid Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)OC)C(=O)O)CNC4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)OC)C(=O)O)CNC4CCCCC4

InChI

InChI=1S/C25H30N2O3/c1-17-8-13-21-22(15-26-19-6-4-3-5-7-19)24(25(28)29)27(23(21)14-17)16-18-9-11-20(30-2)12-10-18/h8-14,19,26H,3-7,15-16H2,1-2H3,(H,28,29)