methyl 2-azanyl-2-[2-(3,4-diphenylphenyl)-1,3-dioxetan-2-yl]but-3-ynoate

Systemtic Name: methyl 2-azanyl-2-[2-(3,4-diphenylphenyl)-1,3-dioxetan-2-yl]but-3-ynoate Openeye Name: methyl 2-amino-2-[2-(3,4-diphenylphenyl)-1,3-dioxetan-2-yl]but-3-ynoate CAS Name: 2-amino-2-[2-(3,4-diphenylphenyl)-1,3-dioxetan-2-yl]-3-butynoic acid methyl ester IUPAC Name: methyl 2-amino-2-[2-(3,4-diphenylphenyl)-1,3-dioxetan-2-yl]but-3-ynoate Traditional Name: 2-amino-2-[2-(3,4-diphenylphenyl)-1,3-dioxetan-2-yl]but-3-ynoic acid methyl ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#C)(C1(OCO1)C2=CC(=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C(C#C)(C1(OCO1)C2=CC(=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C25H21NO4/c1-3-24(26,23(27)28-2)25(29-17-30-25)20-14-15-21(18-10-6-4-7-11-18)22(16-20)19-12-8-5-9-13-19/h1,4-16H,17,26H2,2H3