2-(4-azanylbutyl)-2,3-dihydroinden-1-one; (E)-4-[(2-methoxyphenyl)methoxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 2-(4-azanylbutyl)-2,3-dihydroinden-1-one; (E)-4-[(2-methoxyphenyl)methoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: 2-(4-aminobutyl)indan-1-one; (E)-4-[(2-methoxyphenyl)methoxy]-4-oxo-but-2-enoic acid CAS Name: 2-(4-aminobutyl)-2,3-dihydroinden-1-one; (E)-4-[(2-methoxyphenyl)methoxy]-4-oxo-2-butenoic acid IUPAC Name: 2-(4-aminobutyl)-2,3-dihydroinden-1-one; (E)-4-[(2-methoxyphenyl)methoxy]-4-oxobut-2-enoic acid Traditional Name: 2-(4-aminobutyl)indan-1-one; (E)-4-keto-4-o-anisyloxy-but-2-enoic acid Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1COC(=O)C=CC(=O)O.C1C(C(=O)C2=CC=CC=C21)CCCCN

Isomeric SMILES

COC1=CC=CC=C1COC(=O)/C=C/C(=O)O.C1C(C(=O)C2=CC=CC=C21)CCCCN

InChI

InChI=1S/C13H17NO.C12H12O5/c14-8-4-3-6-11-9-10-5-1-2-7-12(10)13(11)15;1-16-10-5-3-2-4-9(10)8-17-12(15)7-6-11(13)14/h1-2,5,7,11H,3-4,6,8-9,14H2;2-7H,8H2,1H3,(H,13,14)/b;7-6+