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

Systemtic Name: methyl 2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]-3-(1-propylimidazol-4-yl)propanoate Openeye Name: methyl 2-[3-(benzyloxycarbonylamino)pyrrolidin-1-yl]-3-(1-propylimidazol-4-yl)propanoate CAS Name: 2-[3-(phenylmethoxycarbonylamino)-1-pyrrolidinyl]-3-(1-propyl-4-imidazolyl)propanoic acid methyl ester IUPAC Name: methyl 2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]-3-(1-propylimidazol-4-yl)propanoate Traditional Name: 2-[3-(benzyloxycarbonylamino)pyrrolidino]-3-(1-propylimidazol-4-yl)propionic acid methyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(N=C1)CC(C(=O)OC)N2CCC(C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCN1C=C(N=C1)CC(C(=O)OC)N2CCC(C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O4/c1-3-10-25-13-19(23-16-25)12-20(21(27)29-2)26-11-9-18(14-26)24-22(28)30-15-17-7-5-4-6-8-17/h4-8,13,16,18,20H,3,9-12,14-15H2,1-2H3,(H,24,28)