ethyl 3-[3,5-bis(chloranyl)phenyl]-3-[[2-[2-[6-(methylamino)pyridin-2-yl]ethoxycarbonylamino]-3-phenylmethoxy-propanoyl]amino]propanoate

Systemtic Name: ethyl 3-[3,5-bis(chloranyl)phenyl]-3-[[2-[2-[6-(methylamino)pyridin-2-yl]ethoxycarbonylamino]-3-phenylmethoxy-propanoyl]amino]propanoate Openeye Name: ethyl 3-[[3-benzyloxy-2-[2-[6-(methylamino)-2-pyridyl]ethoxycarbonylamino]propanoyl]amino]-3-(3,5-dichlorophenyl)propanoate CAS Name: 3-(3,5-dichlorophenyl)-3-[[2-[[2-[6-(methylamino)-2-pyridinyl]ethoxy-oxomethyl]amino]-1-oxo-3-phenylmethoxypropyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(3,5-dichlorophenyl)-3-[[2-[2-[6-(methylamino)pyridin-2-yl]ethoxycarbonylamino]-3-phenylmethoxypropanoyl]amino]propanoate Traditional Name: 3-[[3-benzoxy-2-[2-[6-(methylamino)-2-pyridyl]ethoxycarbonylamino]propanoyl]amino]-3-(3,5-dichlorophenyl)propionic acid ethyl ester Formula: C30H34Cl2N4O6 MolecularWeight: 617.52016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC(=C1)Cl)Cl)NC(=O)C(COCC2=CC=CC=C2)NC(=O)OCCC3=NC(=CC=C3)NC

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC(=C1)Cl)Cl)NC(=O)C(COCC2=CC=CC=C2)NC(=O)OCCC3=NC(=CC=C3)NC

InChI

InChI=1S/C30H34Cl2N4O6/c1-3-41-28(37)17-25(21-14-22(31)16-23(32)15-21)35-29(38)26(19-40-18-20-8-5-4-6-9-20)36-30(39)42-13-12-24-10-7-11-27(33-2)34-24/h4-11,14-16,25-26H,3,12-13,17-19H2,1-2H3,(H,33,34)(H,35,38)(H,36,39)