3-(4-tert-butylphenyl)-5-(cyclopropylcarbonylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-5-(cyclopropylcarbonylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-5-(cyclopropanecarbonylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-5-[[cyclopropyl(oxo)methyl]amino]-1-[(3-methoxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-5-(cyclopropanecarbonylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-5-(cyclopropanecarbonylamino)-1-m-anisyl-indole-2-carboxylic acid Formula: C31H32N2O4 MolecularWeight: 496.59678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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