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

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-6-methyl-3-[(phenethylamino)methyl]indole-2-carboxylic acid Openeye Name: 6-methyl-3-[(phenethylamino)methyl]-1-[(4-vinylphenyl)methyl]indole-2-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-6-methyl-3-[(phenethylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-6-methyl-3-[(phenethylamino)methyl]indole-2-carboxylic acid Traditional Name: 6-methyl-3-[(phenethylamino)methyl]-1-(4-vinylbenzyl)indole-2-carboxylic acid Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)C=C)C(=O)O)CNCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)C=C)C(=O)O)CNCCC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O2/c1-3-21-10-12-23(13-11-21)19-30-26-17-20(2)9-14-24(26)25(27(30)28(31)32)18-29-16-15-22-7-5-4-6-8-22/h3-14,17,29H,1,15-16,18-19H2,2H3,(H,31,32)