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

Systemtic Name: 7-oxidanyl-4-[2-[(4-oxidanylidene-4-phenylmethoxy-butan-2-yl)amino]ethanoyl]-1H-indole-2-carboxylic acid Openeye Name: 4-[2-[(3-benzyloxy-1-methyl-3-oxo-propyl)amino]acetyl]-7-hydroxy-1H-indole-2-carboxylic acid CAS Name: 7-hydroxy-4-[1-oxo-2-[(4-oxo-4-phenylmethoxybutan-2-yl)amino]ethyl]-1H-indole-2-carboxylic acid IUPAC Name: 7-hydroxy-4-[2-[(4-oxo-4-phenylmethoxybutan-2-yl)amino]acetyl]-1H-indole-2-carboxylic acid Traditional Name: 4-[2-[(3-benzoxy-3-keto-1-methyl-propyl)amino]acetyl]-7-hydroxy-1H-indole-2-carboxylic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC1=CC=CC=C1)NCC(=O)C2=C3C=C(NC3=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(CC(=O)OCC1=CC=CC=C1)NCC(=O)C2=C3C=C(NC3=C(C=C2)O)C(=O)O

InChI

InChI=1S/C22H22N2O6/c1-13(9-20(27)30-12-14-5-3-2-4-6-14)23-11-19(26)15-7-8-18(25)21-16(15)10-17(24-21)22(28)29/h2-8,10,13,23-25H,9,11-12H2,1H3,(H,28,29)