3-(4-tert-butylphenyl)-1-[[3-(4-ethoxycarbonylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-1-[[3-(4-ethoxycarbonylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-[[3-(4-ethoxycarbonylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[[3-(4-ethoxycarbonyl-1-piperazinyl)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-[[3-(4-ethoxycarbonylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-[3-(4-carbethoxypiperazino)benzyl]indole-2-carboxylic acid Formula: C33H37N3O4 MolecularWeight: 539.66458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC=CC(=C2)CN3C4=CC=CC=C4C(=C3C(=O)O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC=CC(=C2)CN3C4=CC=CC=C4C(=C3C(=O)O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C33H37N3O4/c1-5-40-32(39)35-19-17-34(18-20-35)26-10-8-9-23(21-26)22-36-28-12-7-6-11-27(28)29(30(36)31(37)38)24-13-15-25(16-14-24)33(2,3)4/h6-16,21H,5,17-20,22H2,1-4H3,(H,37,38)