ethyl 7-oxidanylidene-7-(pentylamino)-2-(phenylmethoxycarbonylamino)heptanoate

Systemtic Name: ethyl 7-oxidanylidene-7-(pentylamino)-2-(phenylmethoxycarbonylamino)heptanoate Openeye Name: ethyl 2-(benzyloxycarbonylamino)-7-oxo-7-(pentylamino)heptanoate CAS Name: 7-oxo-7-(pentylamino)-2-(phenylmethoxycarbonylamino)heptanoic acid ethyl ester IUPAC Name: ethyl 7-oxo-7-(pentylamino)-2-(phenylmethoxycarbonylamino)heptanoate Traditional Name: 7-(amylamino)-2-(benzyloxycarbonylamino)-7-keto-enanthic acid ethyl ester Formula: C22H34N2O5 MolecularWeight: 406.51576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CCCCC(C(=O)OCC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCNC(=O)CCCCC(C(=O)OCC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H34N2O5/c1-3-5-11-16-23-20(25)15-10-9-14-19(21(26)28-4-2)24-22(27)29-17-18-12-7-6-8-13-18/h6-8,12-13,19H,3-5,9-11,14-17H2,1-2H3,(H,23,25)(H,24,27)