(2-aminocarbonylphenyl) (E)-2-[1-(4-cyclohexylbutylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-7-pyridin-3-yl-hept-6-enoate

Systemtic Name: (2-aminocarbonylphenyl) (E)-2-[1-(4-cyclohexylbutylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-7-pyridin-3-yl-hept-6-enoate Openeye Name: (2-carbamoylphenyl) (E)-2-[2-(4-cyclohexylbutylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-7-(3-pyridyl)hept-6-enoate CAS Name: (E)-2-[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]-7-(3-pyridinyl)-6-heptenoic acid (2-carbamoylphenyl) ester IUPAC Name: (2-carbamoylphenyl) (E)-2-[1-(4-cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]-7-pyridin-3-ylhept-6-enoate Traditional Name: (E)-2-[2-(4-cyclohexylbutylamino)-2-keto-1-methylol-ethyl]-7-(3-pyridyl)hept-6-enoic acid (2-carbamoylphenyl) ester Formula: C32H43N3O5 MolecularWeight: 549.70092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCNC(=O)C(CO)C(CCCC=CC2=CN=CC=C2)C(=O)OC3=CC=CC=C3C(=O)N

Isomeric SMILES

C1CCC(CC1)CCCCNC(=O)C(CO)C(CCC/C=C/C2=CN=CC=C2)C(=O)OC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C32H43N3O5/c33-30(37)27-18-7-8-19-29(27)40-32(39)26(17-6-2-5-15-25-16-11-20-34-22-25)28(23-36)31(38)35-21-10-9-14-24-12-3-1-4-13-24/h5,7-8,11,15-16,18-20,22,24,26,28,36H,1-4,6,9-10,12-14,17,21,23H2,(H2,33,37)(H,35,38)/b15-5+