5-[3-(phenylmethoxycarbonylamino)-2H-azepin-2-yl]pentanoate

Systemtic Name: 5-[3-(phenylmethoxycarbonylamino)-2H-azepin-2-yl]pentanoate Openeye Name: 5-[3-(benzyloxycarbonylamino)-2H-azepin-2-yl]pentanoate CAS Name: 5-[3-(phenylmethoxycarbonylamino)-2H-azepin-2-yl]pentanoate IUPAC Name: 5-[3-(phenylmethoxycarbonylamino)-2H-azepin-2-yl]pentanoate Traditional Name: 5-[3-(benzyloxycarbonylamino)-2H-azepin-2-yl]valerate Formula: C19H21N2O4- MolecularWeight: 341.38104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CC=CC=NC2CCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC=CC=NC2CCCCC(=O)[O-]

InChI

InChI=1S/C19H22N2O4/c22-18(23)12-5-4-10-16-17(11-6-7-13-20-16)21-19(24)25-14-15-8-2-1-3-9-15/h1-3,6-9,11,13,16H,4-5,10,12,14H2,(H,21,24)(H,22,23)/p-1