6-chloranyl-7-methyl-4-[[[(S)-(4-methylphenyl)-phenyl-methyl]amino]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[[(S)-(4-methylphenyl)-phenyl-methyl]amino]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[[(S)-phenyl(p-tolyl)methyl]amino]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[(S)-(4-methylphenyl)-phenylmethyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[[(S)-(4-methylphenyl)-phenylmethyl]amino]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[(S)-phenyl(p-tolyl)methyl]amino]methyl]coumarin Formula: C25H22ClNO2 MolecularWeight: 403.90068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

InChI

InChI=1S/C25H22ClNO2/c1-16-8-10-19(11-9-16)25(18-6-4-3-5-7-18)27-15-20-13-24(28)29-23-12-17(2)22(26)14-21(20)23/h3-14,25,27H,15H2,1-2H3/t25-/m0/s1