3-[[(1S)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]chromen-2-one

Systemtic Name: 3-[[(1S)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]chromen-2-one Openeye Name: 3-[(1S)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]chromen-2-one CAS Name: 3-[[(1S)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[(1S)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]chromen-2-one Traditional Name: 3-[(1S)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]coumarin Formula: C30H29NO6 MolecularWeight: 499.55436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC5=CC=CC=C5OC4=O)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@@H]2C3=CC(=C(C=C3CCN2C(=O)C4=CC5=CC=CC=C5OC4=O)OC)OC

InChI

InChI=1S/C30H29NO6/c1-4-19-9-11-22(12-10-19)36-18-25-23-17-28(35-3)27(34-2)16-20(23)13-14-31(25)29(32)24-15-21-7-5-6-8-26(21)37-30(24)33/h5-12,15-17,25H,4,13-14,18H2,1-3H3/t25-/m1/s1