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

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-(phenylmethoxycarbonylamino)ethanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)acetate CAS Name: 2-(phenylmethoxycarbonylamino)acetic 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) 2-(phenylmethoxycarbonylamino)acetate Traditional Name: 2-(benzyloxycarbonylamino)acetic acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C27H22ClNO6 MolecularWeight: 491.91968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClNO6/c1-17-20-13-22(28)24(14-23(20)35-26(31)21(17)12-18-8-4-2-5-9-18)34-25(30)15-29-27(32)33-16-19-10-6-3-7-11-19/h2-11,13-14H,12,15-16H2,1H3,(H,29,32)