6-chloranyl-7-methyl-4-[[[(2S)-2-phenyl-2-pyrrolidin-1-yl-ethyl]amino]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[[(2S)-2-phenyl-2-pyrrolidin-1-yl-ethyl]amino]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[[(2S)-2-phenyl-2-pyrrolidin-1-yl-ethyl]amino]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[(2S)-2-phenyl-2-(1-pyrrolidinyl)ethyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[(2S)-2-phenyl-2-pyrrolidino-ethyl]amino]methyl]coumarin Formula: C23H25ClN2O2 MolecularWeight: 396.9098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CNCC(C3=CC=CC=C3)N4CCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CNC[C@H](C3=CC=CC=C3)N4CCCC4)Cl

InChI

InChI=1S/C23H25ClN2O2/c1-16-11-22-19(13-20(16)24)18(12-23(27)28-22)14-25-15-21(26-9-5-6-10-26)17-7-3-2-4-8-17/h2-4,7-8,11-13,21,25H,5-6,9-10,14-15H2,1H3/t21-/m1/s1