3-(2-methylpiperidin-1-yl)propyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate hydrate hydrochloride

Systemtic Name: 3-(2-methylpiperidin-1-yl)propyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate hydrate hydrochloride Openeye Name: 3-(2-methyl-1-piperidyl)propyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate hydrate hydrochloride CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 3-(2-methyl-1-piperidinyl)propyl ester hydrate hydrochloride IUPAC Name: 3-(2-methylpiperidin-1-yl)propyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate hydrate hydrochloride Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid 3-(2-methylpiperidino)propyl ester hydrate hydrochloride Formula: C26H32ClNO5 MolecularWeight: 473.98898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCOC(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4.O.Cl

Isomeric SMILES

CC1CCCCN1CCCOC(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4.O.Cl

InChI

InChI=1S/C26H29NO4.ClH.H2O/c1-18-10-6-7-15-27(18)16-9-17-30-26(29)22-14-8-13-21-23(28)19(2)24(31-25(21)22)20-11-4-3-5-12-20;;/h3-5,8,11-14,18H,6-7,9-10,15-17H2,1-2H3;1H;1H2