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

Systemtic Name: 3-(4-tert-butylphenyl)-5-(cyclopropylmethylcarbamoylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-5-(cyclopropylmethylcarbamoylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-5-[[(cyclopropylmethylamino)-oxomethyl]amino]-1-[(3-methoxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-5-(cyclopropylmethylcarbamoylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-5-(cyclopropylmethylcarbamoylamino)-1-m-anisyl-indole-2-carboxylic acid Formula: C32H35N3O4 MolecularWeight: 525.638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)NC(=O)NCC4CC4)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)NCC4CC4)CC5=CC(=CC=C5)OC)C(=O)O

InChI

InChI=1S/C32H35N3O4/c1-32(2,3)23-12-10-22(11-13-23)28-26-17-24(34-31(38)33-18-20-8-9-20)14-15-27(26)35(29(28)30(36)37)19-21-6-5-7-25(16-21)39-4/h5-7,10-17,20H,8-9,18-19H2,1-4H3,(H,36,37)(H2,33,34,38)