(E)-4-[3-(methoxymethyl)spiro[5,6-dihydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-2-yl]oxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[3-(methoxymethyl)spiro[5,6-dihydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-2-yl]oxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-(methoxymethyl)spiro[5,6-dihydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-2-yl]oxy-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[3-(methoxymethyl)-2-spiro[5,6-dihydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]yl]oxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-(methoxymethyl)spiro[5,6-dihydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-2-yl]oxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[3-(methoxymethyl)spiro[5,6-dihydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-2-yl]oxy-but-2-enoic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(N=C2N1CCC3=CC=CC=C3C24CCNCC4)OC(=O)C=CC(=O)O

Isomeric SMILES

COCC1=C(N=C2N1CCC3=CC=CC=C3C24CCNCC4)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C22H25N3O5/c1-29-14-17-20(30-19(28)7-6-18(26)27)24-21-22(9-11-23-12-10-22)16-5-3-2-4-15(16)8-13-25(17)21/h2-7,23H,8-14H2,1H3,(H,26,27)/b7-6+