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

Systemtic Name: 3-(4-tert-butylphenyl)-7-(cyclopropylcarbamoylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-7-(cyclopropylcarbamoylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-7-[[(cyclopropylamino)-oxomethyl]amino]-1-[(3-methoxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-7-(cyclopropylcarbamoylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-7-(cyclopropylcarbamoylamino)-1-m-anisyl-indole-2-carboxylic acid Formula: C31H33N3O4 MolecularWeight: 511.61142

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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)NC4CC4)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)NC4CC4)CC5=CC(=CC=C5)OC)C(=O)O

InChI

InChI=1S/C31H33N3O4/c1-31(2,3)21-13-11-20(12-14-21)26-24-9-6-10-25(33-30(37)32-22-15-16-22)27(24)34(28(26)29(35)36)18-19-7-5-8-23(17-19)38-4/h5-14,17,22H,15-16,18H2,1-4H3,(H,35,36)(H2,32,33,37)