methyl 3-[1-(3-cyclohexylpropyl)imidazol-4-yl]-2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoate

Systemtic Name: methyl 3-[1-(3-cyclohexylpropyl)imidazol-4-yl]-2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoate Openeye Name: methyl 2-[3-(benzyloxycarbonylamino)pyrrolidin-1-yl]-3-[1-(3-cyclohexylpropyl)imidazol-4-yl]propanoate CAS Name: 3-[1-(3-cyclohexylpropyl)-4-imidazolyl]-2-[3-(phenylmethoxycarbonylamino)-1-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(3-cyclohexylpropyl)imidazol-4-yl]-2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoate Traditional Name: 2-[3-(benzyloxycarbonylamino)pyrrolidino]-3-[1-(3-cyclohexylpropyl)imidazol-4-yl]propionic acid methyl ester Formula: C28H40N4O4 MolecularWeight: 496.6416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C=N1)CCCC2CCCCC2)N3CCC(C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CN(C=N1)CCCC2CCCCC2)N3CCC(C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H40N4O4/c1-35-27(33)26(17-25-18-31(21-29-25)15-8-13-22-9-4-2-5-10-22)32-16-14-24(19-32)30-28(34)36-20-23-11-6-3-7-12-23/h3,6-7,11-12,18,21-22,24,26H,2,4-5,8-10,13-17,19-20H2,1H3,(H,30,34)