3-[[(2,5-dimethoxyphenyl)methylamino]methyl]-1-[(4-ethenylphenyl)methyl]-6-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]-1-[(4-ethenylphenyl)methyl]-6-methyl-indole-2-carboxylic acid Openeye Name: 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]-6-methyl-1-[(4-vinylphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]-1-[(4-ethenylphenyl)methyl]-6-methyl-2-indolecarboxylic acid IUPAC Name: 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]-1-[(4-ethenylphenyl)methyl]-6-methylindole-2-carboxylic acid Traditional Name: 3-[[(2,5-dimethoxybenzyl)amino]methyl]-6-methyl-1-(4-vinylbenzyl)indole-2-carboxylic acid Formula: C29H30N2O4 MolecularWeight: 470.5595

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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)CNCC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)C=C)C(=O)O)CNCC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C29H30N2O4/c1-5-20-7-9-21(10-8-20)18-31-26-14-19(2)6-12-24(26)25(28(31)29(32)33)17-30-16-22-15-23(34-3)11-13-27(22)35-4/h5-15,30H,1,16-18H2,2-4H3,(H,32,33)