O1-ethyl O8-methyl 2-[(phenylmethyl)-prop-2-enyl-amino]oct-3-ynedioate

Systemtic Name: O1-ethyl O8-methyl 2-[(phenylmethyl)-prop-2-enyl-amino]oct-3-ynedioate Openeye Name: O1-ethyl O8-methyl 2-[allyl(benzyl)amino]oct-3-ynedioate CAS Name: 2-[(phenylmethyl)-prop-2-enylamino]-3-octynedioic acid O1-ethyl ester O8-methyl ester IUPAC Name: 1-O-ethyl 8-O-methyl 2-[benzyl(prop-2-enyl)amino]oct-3-ynedioate Traditional Name: 2-[allyl(benzyl)amino]oct-3-ynedioic acid O1-ethyl ester O8-methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#CCCCC(=O)OC)N(CC=C)CC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(C#CCCCC(=O)OC)N(CC=C)CC1=CC=CC=C1

InChI

InChI=1S/C21H27NO4/c1-4-16-22(17-18-12-8-6-9-13-18)19(21(24)26-5-2)14-10-7-11-15-20(23)25-3/h4,6,8-9,12-13,19H,1,5,7,11,15-17H2,2-3H3