ethyl 5-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: ethyl 5-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: ethyl 2-(benzyloxycarbonylamino)-5-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)pentanoate CAS Name: 5-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-(phenylmethoxycarbonylamino)pentanoic acid ethyl ester IUPAC Name: ethyl 5-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-5-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)valeric acid ethyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC1CCCCC(=N1)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CCCC1CCCCC(=N1)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H32N2O5/c1-3-28-21(25)19(24-22(26)29-16-17-10-5-4-6-11-17)14-9-13-18-12-7-8-15-20(23-18)27-2/h4-6,10-11,18-19H,3,7-9,12-16H2,1-2H3,(H,24,26)