ethyl 2-[6-chloranyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]-4-oxidanylidene-2-phenyl-chromen-3-yl]oxyethanoate

Systemtic Name: ethyl 2-[6-chloranyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]-4-oxidanylidene-2-phenyl-chromen-3-yl]oxyethanoate Openeye Name: ethyl 2-[8-[3-(tert-butoxycarbonylamino)prop-1-ynyl]-6-chloro-4-oxo-2-phenyl-chromen-3-yl]oxyacetate CAS Name: 2-[[6-chloro-8-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]prop-1-ynyl]-4-oxo-2-phenyl-1-benzopyran-3-yl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-chloro-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]-4-oxo-2-phenylchromen-3-yl]oxyacetate Traditional Name: 2-[8-[3-(tert-butoxycarbonylamino)prop-1-ynyl]-6-chloro-4-keto-2-phenyl-chromen-3-yl]oxyacetic acid ethyl ester Formula: C27H26ClNO7 MolecularWeight: 511.95084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(OC2=C(C1=O)C=C(C=C2C#CCNC(=O)OC(C)(C)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)COC1=C(OC2=C(C1=O)C=C(C=C2C#CCNC(=O)OC(C)(C)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C27H26ClNO7/c1-5-33-21(30)16-34-25-22(31)20-15-19(28)14-18(12-9-13-29-26(32)36-27(2,3)4)23(20)35-24(25)17-10-7-6-8-11-17/h6-8,10-11,14-15H,5,13,16H2,1-4H3,(H,29,32)