3-(4-tert-butylphenyl)-7-(cyclopropylcarbonylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-7-(cyclopropylcarbonylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-7-(cyclopropanecarbonylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-7-[[cyclopropyl(oxo)methyl]amino]-1-[(3-methoxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-7-(cyclopropanecarbonylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-7-(cyclopropanecarbonylamino)-1-m-anisyl-indole-2-carboxylic acid Formula: C31H32N2O4 MolecularWeight: 496.59678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=C2C=CC=C3NC(=O)C4CC4)CC5=CC(=CC=C5)OC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=C2C=CC=C3NC(=O)C4CC4)CC5=CC(=CC=C5)OC)C(=O)O

InChI

InChI=1S/C31H32N2O4/c1-31(2,3)22-15-13-20(14-16-22)26-24-9-6-10-25(32-29(34)21-11-12-21)27(24)33(28(26)30(35)36)18-19-7-5-8-23(17-19)37-4/h5-10,13-17,21H,11-12,18H2,1-4H3,(H,32,34)(H,35,36)