ethyl 3-[5-[(3-methoxyphenyl)methyl]hept-6-enoyl-(phenylmethyl)amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[5-[(3-methoxyphenyl)methyl]hept-6-enoyl-(phenylmethyl)amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[benzyl-[5-[(3-methoxyphenyl)methyl]hept-6-enoyl]amino]-3-oxo-propanoate CAS Name: 3-[[5-[(3-methoxyphenyl)methyl]-1-oxohept-6-enyl]-(phenylmethyl)amino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[5-[(3-methoxyphenyl)methyl]hept-6-enoyl]amino]-3-oxopropanoate Traditional Name: 3-[benzyl(5-m-anisylhept-6-enoyl)amino]-3-keto-propionic acid ethyl ester Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N(CC1=CC=CC=C1)C(=O)CCCC(CC2=CC(=CC=C2)OC)C=C

Isomeric SMILES

CCOC(=O)CC(=O)N(CC1=CC=CC=C1)C(=O)CCCC(CC2=CC(=CC=C2)OC)C=C

InChI

InChI=1S/C27H33NO5/c1-4-21(17-23-14-9-15-24(18-23)32-3)13-10-16-25(29)28(20-22-11-7-6-8-12-22)26(30)19-27(31)33-5-2/h4,6-9,11-12,14-15,18,21H,1,5,10,13,16-17,19-20H2,2-3H3