(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: (7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: (7-methyl-2-oxo-4-propyl-chromen-5-yl) (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid (7-methyl-2-oxo-4-propyl-1-benzopyran-5-yl) ester IUPAC Name: (7-methyl-2-oxo-4-propylchromen-5-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid (2-keto-7-methyl-4-propyl-chromen-5-yl) ester Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H31NO6/c1-6-10-19-16-23(29)32-21-13-17(2)14-22(24(19)21)33-25(30)20(15-18-11-8-7-9-12-18)28-26(31)34-27(3,4)5/h7-9,11-14,16,20H,6,10,15H2,1-5H3,(H,28,31)/t20-/m0/s1