2-[2-(ethoxycarbonylamino)-3-oxidanyl-indol-3-yl]-2-methyl-but-3-enoic acid

Systemtic Name: 2-[2-(ethoxycarbonylamino)-3-oxidanyl-indol-3-yl]-2-methyl-but-3-enoic acid Openeye Name: 2-[2-(ethoxycarbonylamino)-3-hydroxy-indol-3-yl]-2-methyl-but-3-enoic acid CAS Name: 2-[2-(ethoxycarbonylamino)-3-hydroxy-3-indolyl]-2-methyl-3-butenoic acid IUPAC Name: 2-[2-(ethoxycarbonylamino)-3-hydroxyindol-3-yl]-2-methylbut-3-enoic acid Traditional Name: 2-[2-(carbethoxyamino)-3-hydroxy-indol-3-yl]-2-methyl-but-3-enoic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC2=CC=CC=C2C1(C(C)(C=C)C(=O)O)O

Isomeric SMILES

CCOC(=O)NC1=NC2=CC=CC=C2C1(C(C)(C=C)C(=O)O)O

InChI

InChI=1S/C16H18N2O5/c1-4-15(3,13(19)20)16(22)10-8-6-7-9-11(10)17-12(16)18-14(21)23-5-2/h4,6-9,22H,1,5H2,2-3H3,(H,19,20)(H,17,18,21)