6,7-dimethyl-4-[[[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]amino]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]amino]methyl]chromen-2-one Openeye Name: 4-[[[(3S)-1-benzylpyrrolidin-3-yl]amino]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 6,7-dimethyl-4-[[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 4-[[[(3S)-1-benzylpyrrolidin-3-yl]amino]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[(3S)-1-benzylpyrrolidin-3-yl]amino]methyl]-6,7-dimethyl-coumarin Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3CCN(C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN[C@H]3CCN(C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H26N2O2/c1-16-10-21-19(12-23(26)27-22(21)11-17(16)2)13-24-20-8-9-25(15-20)14-18-6-4-3-5-7-18/h3-7,10-12,20,24H,8-9,13-15H2,1-2H3/t20-/m0/s1