ethyl 2-[2-(4-heptoxyphenyl)ethyl]-2-(methoxycarbonylamino)-4-methyl-pentanoate

Systemtic Name: ethyl 2-[2-(4-heptoxyphenyl)ethyl]-2-(methoxycarbonylamino)-4-methyl-pentanoate Openeye Name: ethyl 2-[2-(4-heptoxyphenyl)ethyl]-2-(methoxycarbonylamino)-4-methyl-pentanoate CAS Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-(methoxycarbonylamino)-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-heptoxyphenyl)ethyl]-2-(methoxycarbonylamino)-4-methylpentanoate Traditional Name: 2-(carbomethoxyamino)-2-[2-(4-heptoxyphenyl)ethyl]-4-methyl-valeric acid ethyl ester Formula: C25H41NO5 MolecularWeight: 435.59674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCC(CC(C)C)(C(=O)OCC)NC(=O)OC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCC(CC(C)C)(C(=O)OCC)NC(=O)OC

InChI

InChI=1S/C25H41NO5/c1-6-8-9-10-11-18-31-22-14-12-21(13-15-22)16-17-25(19-20(3)4,23(27)30-7-2)26-24(28)29-5/h12-15,20H,6-11,16-19H2,1-5H3,(H,26,28)