O1-ethyl O7-methyl 2-ethynyl-2-(methoxycarbonylamino)-4-methylidene-6-[(phenylmethyl)amino]heptanedioate

Systemtic Name: O1-ethyl O7-methyl 2-ethynyl-2-(methoxycarbonylamino)-4-methylidene-6-[(phenylmethyl)amino]heptanedioate Openeye Name: O1-ethyl O7-methyl 6-(benzylamino)-2-ethynyl-2-(methoxycarbonylamino)-4-methylene-heptanedioate CAS Name: 2-ethynyl-2-(methoxycarbonylamino)-4-methylene-6-[(phenylmethyl)amino]heptanedioic acid O1-ethyl ester O7-methyl ester IUPAC Name: 1-O-ethyl 7-O-methyl 6-(benzylamino)-2-ethynyl-2-(methoxycarbonylamino)-4-methylideneheptanedioate Traditional Name: 6-(benzylamino)-2-(carbomethoxyamino)-2-ethynyl-4-methylene-pimelic acid O1-ethyl ester O7-methyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=C)CC(C(=O)OC)NCC1=CC=CC=C1)(C#C)NC(=O)OC

Isomeric SMILES

CCOC(=O)C(CC(=C)CC(C(=O)OC)NCC1=CC=CC=C1)(C#C)NC(=O)OC

InChI

InChI=1S/C22H28N2O6/c1-6-22(20(26)30-7-2,24-21(27)29-5)14-16(3)13-18(19(25)28-4)23-15-17-11-9-8-10-12-17/h1,8-12,18,23H,3,7,13-15H2,2,4-5H3,(H,24,27)