diethyl 2-[1-[4-(hexadecylamino)phenyl]prop-2-ynoxy]-3-oxidanyl-butanedioate

Systemtic Name: diethyl 2-[1-[4-(hexadecylamino)phenyl]prop-2-ynoxy]-3-oxidanyl-butanedioate Openeye Name: diethyl 2-[1-[4-(hexadecylamino)phenyl]prop-2-ynoxy]-3-hydroxy-butanedioate CAS Name: 2-[1-[4-(hexadecylamino)phenyl]prop-2-ynoxy]-3-hydroxybutanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-[4-(hexadecylamino)phenyl]prop-2-ynoxy]-3-hydroxybutanedioate Traditional Name: 2-[1-[4-(cetylamino)phenyl]prop-2-ynoxy]-3-hydroxy-succinic acid diethyl ester Formula: C33H53NO6 MolecularWeight: 559.77702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(C#C)OC(C(C(=O)OCC)O)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(C#C)OC(C(C(=O)OCC)O)C(=O)OCC

InChI

InChI=1S/C33H53NO6/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-26-34-28-24-22-27(23-25-28)29(6-2)40-31(33(37)39-8-4)30(35)32(36)38-7-3/h2,22-25,29-31,34-35H,5,7-21,26H2,1,3-4H3