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

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-6-methoxy-3-[[(phenylmethyl)amino]methyl]indole-2-carboxylic acid Openeye Name: 3-[(benzylamino)methyl]-6-methoxy-1-[(4-vinylphenyl)methyl]indole-2-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-6-methoxy-3-[[(phenylmethyl)amino]methyl]-2-indolecarboxylic acid IUPAC Name: 3-[(benzylamino)methyl]-1-[(4-ethenylphenyl)methyl]-6-methoxyindole-2-carboxylic acid Traditional Name: 3-[(benzylamino)methyl]-6-methoxy-1-(4-vinylbenzyl)indole-2-carboxylic acid Formula: C27H26N2O3 MolecularWeight: 426.50694

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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)CNCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)C=C)C(=O)O)CNCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3/c1-3-19-9-11-21(12-10-19)18-29-25-15-22(32-2)13-14-23(25)24(26(29)27(30)31)17-28-16-20-7-5-4-6-8-20/h3-15,28H,1,16-18H2,2H3,(H,30,31)