methyl (2R)-2-[(1-oxidanylidene-2-phenyl-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-yl)carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[(1-oxidanylidene-2-phenyl-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-yl)carbonylamino]propanoate Openeye Name: methyl (2R)-2-[(1-oxo-2-phenyl-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carbonyl)amino]propanoate CAS Name: (2R)-2-[[oxo-(1-oxo-2-phenyl-4-spiro[4H-isoquinoline-3,1'-cyclohexane]yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carbonyl)amino]propanoate Traditional Name: (2R)-2-[(1-keto-2-phenyl-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carbonyl)amino]propionic acid methyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1C2=CC=CC=C2C(=O)N(C13CCCCC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)C1C2=CC=CC=C2C(=O)N(C13CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4/c1-17(24(30)31-2)26-22(28)21-19-13-7-8-14-20(19)23(29)27(18-11-5-3-6-12-18)25(21)15-9-4-10-16-25/h3,5-8,11-14,17,21H,4,9-10,15-16H2,1-2H3,(H,26,28)/t17-,21?/m1/s1