(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: (4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid (4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-6-chloro-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propionic 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(CC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

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