1-(2-azanylpropanoyl)-1-[1-(2,3-dihydro-1H-inden-2-yl)-2-ethoxy-2-oxidanylidene-ethyl]-2,3-dihydroindol-1-ium-2-carboxylic acid

Systemtic Name: 1-(2-azanylpropanoyl)-1-[1-(2,3-dihydro-1H-inden-2-yl)-2-ethoxy-2-oxidanylidene-ethyl]-2,3-dihydroindol-1-ium-2-carboxylic acid Openeye Name: 1-(2-aminopropanoyl)-1-(2-ethoxy-1-indan-2-yl-2-oxo-ethyl)indolin-1-ium-2-carboxylic acid CAS Name: 1-(2-amino-1-oxopropyl)-1-[1-(2,3-dihydro-1H-inden-2-yl)-2-ethoxy-2-oxoethyl]-2,3-dihydroindol-1-ium-2-carboxylic acid IUPAC Name: 1-(2-aminopropanoyl)-1-[1-(2,3-dihydro-1H-inden-2-yl)-2-ethoxy-2-oxoethyl]-2,3-dihydroindol-1-ium-2-carboxylic acid Traditional Name: 1-alanyl-1-(2-ethoxy-1-indan-2-yl-2-keto-ethyl)indolin-1-ium-2-carboxylic acid Formula: C25H29N2O5+ MolecularWeight: 437.50816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CC2=CC=CC=C2C1)[N+]3(C(CC4=CC=CC=C43)C(=O)O)C(=O)C(C)N

Isomeric SMILES

CCOC(=O)C(C1CC2=CC=CC=C2C1)[N+]3(C(CC4=CC=CC=C43)C(=O)O)C(=O)C(C)N

InChI

InChI=1S/C25H28N2O5/c1-3-32-25(31)22(19-12-16-8-4-5-9-17(16)13-19)27(23(28)15(2)26)20-11-7-6-10-18(20)14-21(27)24(29)30/h4-11,15,19,21-22H,3,12-14,26H2,1-2H3/p+1