2-[2-oxidanylidene-5-[1-(phenylmethoxycarbonylamino)ethyl]-3-(phenylmethyl)cyclohept-4-en-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-5-[1-(phenylmethoxycarbonylamino)ethyl]-3-(phenylmethyl)cyclohept-4-en-1-yl]ethanoic acid Openeye Name: 2-[3-benzyl-5-[1-(benzyloxycarbonylamino)ethyl]-2-oxo-cyclohept-4-en-1-yl]acetic acid CAS Name: 2-[2-oxo-5-[1-(phenylmethoxycarbonylamino)ethyl]-3-(phenylmethyl)-1-cyclohept-4-enyl]acetic acid IUPAC Name: 2-[3-benzyl-2-oxo-5-[1-(phenylmethoxycarbonylamino)ethyl]cyclohept-4-en-1-yl]acetic acid Traditional Name: 2-[3-benzyl-5-[1-(benzyloxycarbonylamino)ethyl]-2-keto-cyclohept-4-en-1-yl]acetic acid Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(C(=O)C(CC1)CC(=O)O)CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC(C(=O)C(CC1)CC(=O)O)CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29NO5/c1-18(27-26(31)32-17-20-10-6-3-7-11-20)21-12-13-22(16-24(28)29)25(30)23(15-21)14-19-8-4-2-5-9-19/h2-11,15,18,22-23H,12-14,16-17H2,1H3,(H,27,31)(H,28,29)