2-[methoxycarbonyl-[2-[5-(4-methylphenyl)furan-2-yl]ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[methoxycarbonyl-[2-[5-(4-methylphenyl)furan-2-yl]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[methoxycarbonyl-[2-[5-(p-tolyl)-2-furyl]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[methoxycarbonyl-[2-[5-(4-methylphenyl)-2-furanyl]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[methoxycarbonyl-[2-[5-(4-methylphenyl)furan-2-yl]ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carbomethoxy-[2-[5-(p-tolyl)-2-furyl]ethyl]amino]-4-methyl-valeric acid Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(O2)CCN(C(CC(C)C)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(O2)CCN(C(CC(C)C)C(=O)O)C(=O)OC

InChI

InChI=1S/C21H27NO5/c1-14(2)13-18(20(23)24)22(21(25)26-4)12-11-17-9-10-19(27-17)16-7-5-15(3)6-8-16/h5-10,14,18H,11-13H2,1-4H3,(H,23,24)