6-chloranyl-8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 6-chloranyl-8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-6-chloro-8-[[(2S)-2-ethyl-1-piperidyl]methyl]-7-hydroxy-4-methyl-chromen-2-one CAS Name: 6-chloro-8-[[(2S)-2-ethyl-1-piperidinyl]methyl]-7-hydroxy-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-6-chloro-8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-7-hydroxy-4-methylchromen-2-one Traditional Name: 3-benzyl-6-chloro-8-[[(2S)-2-ethylpiperidino]methyl]-7-hydroxy-4-methyl-coumarin Formula: C25H28ClNO3 MolecularWeight: 425.94772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=C3C(=CC(=C2O)Cl)C(=C(C(=O)O3)CC4=CC=CC=C4)C

Isomeric SMILES

CC[C@H]1CCCCN1CC2=C3C(=CC(=C2O)Cl)C(=C(C(=O)O3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H28ClNO3/c1-3-18-11-7-8-12-27(18)15-21-23(28)22(26)14-19-16(2)20(25(29)30-24(19)21)13-17-9-5-4-6-10-17/h4-6,9-10,14,18,28H,3,7-8,11-13,15H2,1-2H3/t18-/m0/s1