3-[(3S)-3-(4-methoxy-3,5-dimethyl-phenyl)carbonylpiperidin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[(3S)-3-(4-methoxy-3,5-dimethyl-phenyl)carbonylpiperidin-1-yl]carbonylchromen-2-one Openeye Name: 3-[(3S)-3-(4-methoxy-3,5-dimethyl-benzoyl)piperidine-1-carbonyl]chromen-2-one CAS Name: 3-[[(3S)-3-[(4-methoxy-3,5-dimethylphenyl)-oxomethyl]-1-piperidinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]chromen-2-one Traditional Name: 3-[(3S)-3-(4-methoxy-3,5-dimethyl-benzoyl)piperidine-1-carbonyl]coumarin Formula: C25H25NO5 MolecularWeight: 419.4697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C(=O)C2CCCN(C2)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C(=O)[C@H]2CCCN(C2)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C25H25NO5/c1-15-11-19(12-16(2)23(15)30-3)22(27)18-8-6-10-26(14-18)24(28)20-13-17-7-4-5-9-21(17)31-25(20)29/h4-5,7,9,11-13,18H,6,8,10,14H2,1-3H3/t18-/m0/s1