1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-(1H-1,2,4-triazol-5-ylcarbamoyl)-3H-indole-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-(1H-1,2,4-triazol-5-ylcarbamoyl)-3H-indole-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-4-(1H-1,2,4-triazol-5-ylcarbamoyl)indoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(2-methylpropyl)-4-[oxo-(1H-1,2,4-triazol-5-ylamino)methyl]-3H-indole-2-carboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-2-(2-methylpropyl)-4-(1H-1,2,4-triazol-5-ylcarbamoyl)-3H-indole-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-4-(1H-1,2,4-triazol-5-ylcarbamoyl)indoline-2-carboxylic acid Formula: C28H33N5O5 MolecularWeight: 519.59212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC2=C(C=CC=C2N1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C(=O)NC4=NC=NN4)C(=O)O

Isomeric SMILES

CC(C)CC1(CC2=C(C=CC=C2N1C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC)C(=O)NC4=NC=NN4)C(=O)O

InChI

InChI=1S/C28H33N5O5/c1-16(2)13-28(25(36)37)14-19-18(23(34)31-26-29-15-30-32-26)8-7-9-21(19)33(28)24(35)17-10-11-20(27(3,4)5)22(12-17)38-6/h7-12,15-16H,13-14H2,1-6H3,(H,36,37)(H2,29,30,31,32,34)