2-(4-azanylbutyl)-5-pyrrolidin-1-yl-2,3-dihydroinden-1-one; (E)-4-[(2-methoxyphenyl)methoxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 2-(4-azanylbutyl)-5-pyrrolidin-1-yl-2,3-dihydroinden-1-one; (E)-4-[(2-methoxyphenyl)methoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: 2-(4-aminobutyl)-5-pyrrolidin-1-yl-indan-1-one; (E)-4-[(2-methoxyphenyl)methoxy]-4-oxo-but-2-enoic acid CAS Name: 2-(4-aminobutyl)-5-(1-pyrrolidinyl)-2,3-dihydroinden-1-one; (E)-4-[(2-methoxyphenyl)methoxy]-4-oxo-2-butenoic acid IUPAC Name: 2-(4-aminobutyl)-5-pyrrolidin-1-yl-2,3-dihydroinden-1-one; (E)-4-[(2-methoxyphenyl)methoxy]-4-oxobut-2-enoic acid Traditional Name: 2-(4-aminobutyl)-5-pyrrolidino-indan-1-one; (E)-4-keto-4-o-anisyloxy-but-2-enoic acid Formula: C29H36N2O6 MolecularWeight: 508.60594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1COC(=O)C=CC(=O)O.C1CCN(C1)C2=CC3=C(C=C2)C(=O)C(C3)CCCCN

Isomeric SMILES

COC1=CC=CC=C1COC(=O)/C=C/C(=O)O.C1CCN(C1)C2=CC3=C(C=C2)C(=O)C(C3)CCCCN

InChI

InChI=1S/C17H24N2O.C12H12O5/c18-8-2-1-5-13-11-14-12-15(19-9-3-4-10-19)6-7-16(14)17(13)20;1-16-10-5-3-2-4-9(10)8-17-12(15)7-6-11(13)14/h6-7,12-13H,1-5,8-11,18H2;2-7H,8H2,1H3,(H,13,14)/b;7-6+