ethyl 3-[[1-[3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[[1-[3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[1-[3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[[1-[3-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[5-keto-1-[3-(piperonylcarbamoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C30H31N5O7 MolecularWeight: 573.59644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)NC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)NC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H31N5O7/c1-2-40-28(37)14-24(20-5-4-10-31-16-20)34-29(38)21-12-27(36)35(17-21)23-7-3-6-22(13-23)33-30(39)32-15-19-8-9-25-26(11-19)42-18-41-25/h3-11,13,16,21,24H,2,12,14-15,17-18H2,1H3,(H,34,38)(H2,32,33,39)