3-[[3-(1,3-benzodioxol-5-ylcarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-(1,3-benzodioxol-5-ylcarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(1,3-benzodioxole-5-carbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-(4-methoxycarbonyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(1,3-benzodioxole-5-carbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-(piperonyloylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C29H29N5O8 MolecularWeight: 575.56926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H29N5O8/c1-40-29(39)34-11-9-33(10-12-34)23-6-4-18(27(37)31-21(15-26(35)36)20-3-2-8-30-16-20)13-22(23)32-28(38)19-5-7-24-25(14-19)42-17-41-24/h2-8,13-14,16,21H,9-12,15,17H2,1H3,(H,31,37)(H,32,38)(H,35,36)