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

Systemtic Name: methyl 3-[1-(2-cyclohexylethyl)imidazol-4-yl]-2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoate Openeye Name: methyl 2-[3-(benzyloxycarbonylamino)pyrrolidin-1-yl]-3-[1-(2-cyclohexylethyl)imidazol-4-yl]propanoate CAS Name: 3-[1-(2-cyclohexylethyl)-4-imidazolyl]-2-[3-(phenylmethoxycarbonylamino)-1-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(2-cyclohexylethyl)imidazol-4-yl]-2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoate Traditional Name: 2-[3-(benzyloxycarbonylamino)pyrrolidino]-3-[1-(2-cyclohexylethyl)imidazol-4-yl]propionic acid methyl ester Formula: C27H38N4O4 MolecularWeight: 482.61502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C=N1)CCC2CCCCC2)N3CCC(C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CN(C=N1)CCC2CCCCC2)N3CCC(C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H38N4O4/c1-34-26(32)25(16-24-17-30(20-28-24)14-12-21-8-4-2-5-9-21)31-15-13-23(18-31)29-27(33)35-19-22-10-6-3-7-11-22/h3,6-7,10-11,17,20-21,23,25H,2,4-5,8-9,12-16,18-19H2,1H3,(H,29,33)