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

Systemtic Name: 3-(4-tert-butylphenyl)-1-[[3-(4-propan-2-yloxycarbonylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-[[3-(4-isopropoxycarbonylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[[3-[4-[oxo(propan-2-yloxy)methyl]-1-piperazinyl]phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-[[3-(4-propan-2-yloxycarbonylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-[3-(4-isopropoxycarbonylpiperazino)benzyl]indole-2-carboxylic acid Formula: C34H39N3O4 MolecularWeight: 553.69116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=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

CC(C)OC(=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/C34H39N3O4/c1-23(2)41-33(40)36-19-17-35(18-20-36)27-10-8-9-24(21-27)22-37-29-12-7-6-11-28(29)30(31(37)32(38)39)25-13-15-26(16-14-25)34(3,4)5/h6-16,21,23H,17-20,22H2,1-5H3,(H,38,39)