5-(4-tert-butylphenyl)-3-(dimethylaminomethyl)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid

Systemtic Name: 5-(4-tert-butylphenyl)-3-(dimethylaminomethyl)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid Openeye Name: 5-(4-tert-butylphenyl)-3-(dimethylaminomethyl)-1-(4-isopropoxyphenyl)indole-2-carboxylic acid CAS Name: 5-(4-tert-butylphenyl)-3-(dimethylaminomethyl)-1-(4-propan-2-yloxyphenyl)-2-indolecarboxylic acid IUPAC Name: 5-(4-tert-butylphenyl)-3-(dimethylaminomethyl)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid Traditional Name: 5-(4-tert-butylphenyl)-3-(dimethylaminomethyl)-1-(4-isopropoxyphenyl)indole-2-carboxylic acid Formula: C31H36N2O3 MolecularWeight: 484.62914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)C(C)(C)C)C(=C2C(=O)O)CN(C)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)C(C)(C)C)C(=C2C(=O)O)CN(C)C

InChI

InChI=1S/C31H36N2O3/c1-20(2)36-25-15-13-24(14-16-25)33-28-17-10-22(21-8-11-23(12-9-21)31(3,4)5)18-26(28)27(19-32(6)7)29(33)30(34)35/h8-18,20H,19H2,1-7H3,(H,34,35)