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

Systemtic Name: 3-[(cyclohexylamino)methyl]-1-[(4-ethenylphenyl)methyl]-6-methoxy-indole-2-carboxylic acid Openeye Name: 3-[(cyclohexylamino)methyl]-6-methoxy-1-[(4-vinylphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-[(cyclohexylamino)methyl]-1-[(4-ethenylphenyl)methyl]-6-methoxy-2-indolecarboxylic acid IUPAC Name: 3-[(cyclohexylamino)methyl]-1-[(4-ethenylphenyl)methyl]-6-methoxyindole-2-carboxylic acid Traditional Name: 3-[(cyclohexylamino)methyl]-6-methoxy-1-(4-vinylbenzyl)indole-2-carboxylic acid Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)C=C)C(=O)O)CNC4CCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)C=C)C(=O)O)CNC4CCCCC4

InChI

InChI=1S/C26H30N2O3/c1-3-18-9-11-19(12-10-18)17-28-24-15-21(31-2)13-14-22(24)23(25(28)26(29)30)16-27-20-7-5-4-6-8-20/h3,9-15,20,27H,1,4-8,16-17H2,2H3,(H,29,30)