3-[4-[(3-aminophenyl)-(furan-2-ylcarbonyl)amino]-4-methoxycarbonyl-piperidin-1-yl]-2-phenyl-propanoic acid

Systemtic Name: 3-[4-[(3-aminophenyl)-(furan-2-ylcarbonyl)amino]-4-methoxycarbonyl-piperidin-1-yl]-2-phenyl-propanoic acid Openeye Name: 3-[4-[3-amino-N-(furan-2-carbonyl)anilino]-4-methoxycarbonyl-1-piperidyl]-2-phenyl-propanoic acid CAS Name: 3-[4-(3-amino-N-[2-furanyl(oxo)methyl]anilino)-4-methoxycarbonyl-1-piperidinyl]-2-phenylpropanoic acid IUPAC Name: 3-[4-[3-amino-N-(furan-2-carbonyl)anilino]-4-methoxycarbonylpiperidin-1-yl]-2-phenylpropanoic acid Traditional Name: 3-[4-[3-amino-N-(2-furoyl)anilino]-4-carbomethoxy-piperidino]-2-phenyl-propionic acid Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)C(=O)O)N(C3=CC=CC(=C3)N)C(=O)C4=CC=CO4

Isomeric SMILES

COC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)C(=O)O)N(C3=CC=CC(=C3)N)C(=O)C4=CC=CO4

InChI

InChI=1S/C27H29N3O6/c1-35-26(34)27(30(21-10-5-9-20(28)17-21)24(31)23-11-6-16-36-23)12-14-29(15-13-27)18-22(25(32)33)19-7-3-2-4-8-19/h2-11,16-17,22H,12-15,18,28H2,1H3,(H,32,33)