[[(Z)-2-isocyano-1-[methyl(1H-pyrrol-2-ylmethyl)amino]ethenyl]-methyl-carbamoyl]oxymethyl 1-phenylcyclopentane-1-carboxylate

Systemtic Name: [[(Z)-2-isocyano-1-[methyl(1H-pyrrol-2-ylmethyl)amino]ethenyl]-methyl-carbamoyl]oxymethyl 1-phenylcyclopentane-1-carboxylate Openeye Name: [[(Z)-2-isocyano-1-[methyl(1H-pyrrol-2-ylmethyl)amino]vinyl]-methyl-carbamoyl]oxymethyl 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid [[[(Z)-2-isocyano-1-[methyl(1H-pyrrol-2-ylmethyl)amino]ethenyl]-methylamino]-oxomethoxy]methyl ester IUPAC Name: [[(Z)-2-isocyano-1-[methyl(1H-pyrrol-2-ylmethyl)amino]ethenyl]-methylcarbamoyl]oxymethyl 1-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid [[(Z)-2-isocyano-1-[methyl(1H-pyrrol-2-ylmethyl)amino]vinyl]-methyl-carbamoyl]oxymethyl ester Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CN1)C(=C[N+]#[C-])N(C)C(=O)OCOC(=O)C2(CCCC2)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=CN1)/C(=C/[N+]#[C-])/N(C)C(=O)OCOC(=O)C2(CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C24H28N4O4/c1-25-16-21(27(2)17-20-12-9-15-26-20)28(3)23(30)32-18-31-22(29)24(13-7-8-14-24)19-10-5-4-6-11-19/h4-6,9-12,15-16,26H,7-8,13-14,17-18H2,2-3H3/b21-16-