2-[2-[5-(3,5-dimethylphenyl)furan-2-yl]ethyl-methoxycarbonyl-amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-[5-(3,5-dimethylphenyl)furan-2-yl]ethyl-methoxycarbonyl-amino]-4-methyl-pentanoic acid Openeye Name: 2-[2-[5-(3,5-dimethylphenyl)-2-furyl]ethyl-methoxycarbonyl-amino]-4-methyl-pentanoic acid CAS Name: 2-[2-[5-(3,5-dimethylphenyl)-2-furanyl]ethyl-methoxycarbonylamino]-4-methylpentanoic acid IUPAC Name: 2-[2-[5-(3,5-dimethylphenyl)furan-2-yl]ethyl-methoxycarbonylamino]-4-methylpentanoic acid Traditional Name: 2-[carbomethoxy-[2-[5-(3,5-dimethylphenyl)-2-furyl]ethyl]amino]-4-methyl-valeric acid Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5/c1-14(2)10-19(21(24)25)23(22(26)27-5)9-8-18-6-7-20(28-18)17-12-15(3)11-16(4)13-17/h6-7,11-14,19H,8-10H2,1-5H3,(H,24,25)