[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C30H28ClNO6 MolecularWeight: 533.99942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H28ClNO6/c1-18(2)27(32-30(35)36-17-21-12-8-5-9-13-21)29(34)38-26-16-25-22(15-24(26)31)19(3)23(28(33)37-25)14-20-10-6-4-7-11-20/h4-13,15-16,18,27H,14,17H2,1-3H3,(H,32,35)