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

Systemtic Name: 4-[2-[(4-ethoxy-2-methyl-4-oxidanylidene-butan-2-yl)-(phenylmethyl)amino]ethanoyl]-7-oxidanyl-1H-indole-2-carboxylic acid Openeye Name: 4-[2-[benzyl-(3-ethoxy-1,1-dimethyl-3-oxo-propyl)amino]acetyl]-7-hydroxy-1H-indole-2-carboxylic acid CAS Name: 4-[2-[(4-ethoxy-2-methyl-4-oxobutan-2-yl)-(phenylmethyl)amino]-1-oxoethyl]-7-hydroxy-1H-indole-2-carboxylic acid IUPAC Name: 4-[2-[benzyl-(4-ethoxy-2-methyl-4-oxobutan-2-yl)amino]acetyl]-7-hydroxy-1H-indole-2-carboxylic acid Traditional Name: 4-[2-[benzyl-(3-ethoxy-3-keto-1,1-dimethyl-propyl)amino]acetyl]-7-hydroxy-1H-indole-2-carboxylic acid Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O6/c1-4-33-22(30)13-25(2,3)27(14-16-8-6-5-7-9-16)15-21(29)17-10-11-20(28)23-18(17)12-19(26-23)24(31)32/h5-12,26,28H,4,13-15H2,1-3H3,(H,31,32)