1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)-4-(pyridin-3-ylmethoxy)-3H-indole-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)-4-(pyridin-3-ylmethoxy)-3H-indole-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-(3-pyridylmethoxy)indoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(phenylmethyl)-4-(3-pyridinylmethoxy)-3H-indole-2-carboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-4-(pyridin-3-ylmethoxy)-3H-indole-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-(3-pyridylmethoxy)indoline-2-carboxylic acid Formula: C34H34N2O5 MolecularWeight: 550.64416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=C(CC2(CC4=CC=CC=C4)C(=O)O)C(=CC=C3)OCC5=CN=CC=C5)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=C(CC2(CC4=CC=CC=C4)C(=O)O)C(=CC=C3)OCC5=CN=CC=C5)OC

InChI

InChI=1S/C34H34N2O5/c1-33(2,3)27-16-15-25(18-30(27)40-4)31(37)36-28-13-8-14-29(41-22-24-12-9-17-35-21-24)26(28)20-34(36,32(38)39)19-23-10-6-5-7-11-23/h5-18,21H,19-20,22H2,1-4H3,(H,38,39)