(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CC(C3=CC=CC=C3)NC(=O)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C[C@H](C3=CC=CC=C3)NC(=O)C)C(C)C

InChI

InChI=1S/C25H27NO5/c1-15(2)20-12-21-19(11-25(29)31-23(21)10-16(20)3)14-30-24(28)13-22(26-17(4)27)18-8-6-5-7-9-18/h5-12,15,22H,13-14H2,1-4H3,(H,26,27)/t22-/m1/s1