ethyl 4-[methyl-[1-(4-nitrophenyl)-2-phenylmethoxy-ethyl]amino]but-2-ynoate

Systemtic Name: ethyl 4-[methyl-[1-(4-nitrophenyl)-2-phenylmethoxy-ethyl]amino]but-2-ynoate Openeye Name: ethyl 4-[[2-benzyloxy-1-(4-nitrophenyl)ethyl]-methyl-amino]but-2-ynoate CAS Name: 4-[methyl-[1-(4-nitrophenyl)-2-phenylmethoxyethyl]amino]-2-butynoic acid ethyl ester IUPAC Name: ethyl 4-[methyl-[1-(4-nitrophenyl)-2-phenylmethoxyethyl]amino]but-2-ynoate Traditional Name: 4-[[2-benzoxy-1-(4-nitrophenyl)ethyl]-methyl-amino]but-2-ynoic acid ethyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CCN(C)C(COCC1=CC=CC=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C#CCN(C)C(COCC1=CC=CC=C1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O5/c1-3-29-22(25)10-7-15-23(2)21(17-28-16-18-8-5-4-6-9-18)19-11-13-20(14-12-19)24(26)27/h4-6,8-9,11-14,21H,3,15-17H2,1-2H3