ethyl 4-(4-heptoxyphenyl)-2-(methoxycarbonylamino)-2-(phenylmethyl)butanoate

Systemtic Name: ethyl 4-(4-heptoxyphenyl)-2-(methoxycarbonylamino)-2-(phenylmethyl)butanoate Openeye Name: ethyl 2-benzyl-4-(4-heptoxyphenyl)-2-(methoxycarbonylamino)butanoate CAS Name: 4-(4-heptoxyphenyl)-2-(methoxycarbonylamino)-2-(phenylmethyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-4-(4-heptoxyphenyl)-2-(methoxycarbonylamino)butanoate Traditional Name: 2-benzyl-2-(carbomethoxyamino)-4-(4-heptoxyphenyl)butyric acid ethyl ester Formula: C28H39NO5 MolecularWeight: 469.61296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCC(CC2=CC=CC=C2)(C(=O)OCC)NC(=O)OC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCC(CC2=CC=CC=C2)(C(=O)OCC)NC(=O)OC

InChI

InChI=1S/C28H39NO5/c1-4-6-7-8-12-21-34-25-17-15-23(16-18-25)19-20-28(26(30)33-5-2,29-27(31)32-3)22-24-13-10-9-11-14-24/h9-11,13-18H,4-8,12,19-22H2,1-3H3,(H,29,31)