(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (4-butyl-6-chloro-2-oxo-chromen-7-yl) (2S,3R)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-6-chloro-2-oxochromen-7-yl) (2S,3R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S,3R)-2-(benzyloxycarbonylamino)-3-methyl-valeric acid (4-butyl-6-chloro-2-keto-chromen-7-yl) ester Formula: C27H30ClNO6 MolecularWeight: 499.9832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C(C)CC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H]([C@H](C)CC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H30ClNO6/c1-4-6-12-19-13-24(30)34-22-15-23(21(28)14-20(19)22)35-26(31)25(17(3)5-2)29-27(32)33-16-18-10-8-7-9-11-18/h7-11,13-15,17,25H,4-6,12,16H2,1-3H3,(H,29,32)/t17-,25+/m1/s1