4-[2-[(4-oxidanyl-4-oxidanylidene-butan-2-yl)-(phenylmethyl)amino]ethanoyl]-7-phenylmethoxy-1H-indole-2-carboxylic acid

Systemtic Name: 4-[2-[(4-oxidanyl-4-oxidanylidene-butan-2-yl)-(phenylmethyl)amino]ethanoyl]-7-phenylmethoxy-1H-indole-2-carboxylic acid Openeye Name: 4-[2-[benzyl-(3-hydroxy-1-methyl-3-oxo-propyl)amino]acetyl]-7-benzyloxy-1H-indole-2-carboxylic acid CAS Name: 4-[2-[(4-hydroxy-4-oxobutan-2-yl)-(phenylmethyl)amino]-1-oxoethyl]-7-phenylmethoxy-1H-indole-2-carboxylic acid IUPAC Name: 4-[2-[benzyl-(4-hydroxy-4-oxobutan-2-yl)amino]acetyl]-7-phenylmethoxy-1H-indole-2-carboxylic acid Traditional Name: 7-benzoxy-4-[2-[benzyl-(3-hydroxy-3-keto-1-methyl-propyl)amino]acetyl]-1H-indole-2-carboxylic acid Formula: C29H28N2O6 MolecularWeight: 500.54242

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N(CC1=CC=CC=C1)CC(=O)C2=C3C=C(NC3=C(C=C2)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(CC(=O)O)N(CC1=CC=CC=C1)CC(=O)C2=C3C=C(NC3=C(C=C2)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H28N2O6/c1-19(14-27(33)34)31(16-20-8-4-2-5-9-20)17-25(32)22-12-13-26(37-18-21-10-6-3-7-11-21)28-23(22)15-24(30-28)29(35)36/h2-13,15,19,30H,14,16-18H2,1H3,(H,33,34)(H,35,36)