5-methoxy-3-[2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-methoxy-3-[2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-[(4-hydroxy-4-oxo-butanoyl)amino]ethyl]-5-methoxy-1H-indole-2-carboxylic acid CAS Name: 3-[2-[(4-hydroxy-1,4-dioxobutyl)amino]ethyl]-5-methoxy-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-[(4-hydroxy-4-oxobutanoyl)amino]ethyl]-5-methoxy-1H-indole-2-carboxylic acid Traditional Name: 3-[2-[(4-hydroxy-4-keto-butanoyl)amino]ethyl]-5-methoxy-1H-indole-2-carboxylic acid Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2CCNC(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2CCNC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H18N2O6/c1-24-9-2-3-12-11(8-9)10(15(18-12)16(22)23)6-7-17-13(19)4-5-14(20)21/h2-3,8,18H,4-7H2,1H3,(H,17,19)(H,20,21)(H,22,23)