2-(1-adamantylmethoxycarbonylamino)-3-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]propanoate

Systemtic Name: 2-(1-adamantylmethoxycarbonylamino)-3-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]propanoate Openeye Name: 2-(1-adamantylmethoxycarbonylamino)-3-[4-(4-ethoxy-4-oxo-butoxy)phenyl]propanoate CAS Name: 2-[[1-adamantylmethoxy(oxo)methyl]amino]-3-[4-(4-ethoxy-4-oxobutoxy)phenyl]propanoate IUPAC Name: 2-(1-adamantylmethoxycarbonylamino)-3-[4-(4-ethoxy-4-oxobutoxy)phenyl]propanoate Traditional Name: 2-(1-adamantylmethoxycarbonylamino)-3-[4-(4-ethoxy-4-keto-butoxy)phenyl]propionate Formula: C27H36NO7- MolecularWeight: 486.57724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)OCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)OCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C27H37NO7/c1-2-33-24(29)4-3-9-34-22-7-5-18(6-8-22)13-23(25(30)31)28-26(32)35-17-27-14-19-10-20(15-27)12-21(11-19)16-27/h5-8,19-21,23H,2-4,9-17H2,1H3,(H,28,32)(H,30,31)/p-1