4-(2-methylpiperidin-1-yl)butyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate

Systemtic Name: 4-(2-methylpiperidin-1-yl)butyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate Openeye Name: 4-(2-methyl-1-piperidyl)butyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 4-(2-methyl-1-piperidinyl)butyl ester IUPAC Name: 4-(2-methylpiperidin-1-yl)butyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid 4-(2-methylpiperidino)butyl ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCCOC(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1CCCCOC(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4

InChI

InChI=1S/C27H31NO4/c1-19-11-6-7-16-28(19)17-8-9-18-31-27(30)23-15-10-14-22-24(29)20(2)25(32-26(22)23)21-12-4-3-5-13-21/h3-5,10,12-15,19H,6-9,11,16-18H2,1-2H3