tert-butyl 2-[2-azido-4-oxidanylidene-3-[(triphenylmethyl)amino]azetidin-1-yl]pent-4-ynoate

Systemtic Name: tert-butyl 2-[2-azido-4-oxidanylidene-3-[(triphenylmethyl)amino]azetidin-1-yl]pent-4-ynoate Openeye Name: tert-butyl 2-[2-azido-4-oxo-3-(tritylamino)azetidin-1-yl]pent-4-ynoate CAS Name: 2-[2-azido-4-oxo-3-[(triphenylmethyl)amino]-1-azetidinyl]-4-pentynoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-azido-4-oxo-3-(tritylamino)azetidin-1-yl]pent-4-ynoate Traditional Name: 2-[2-azido-4-keto-3-(tritylamino)azetidin-1-yl]pent-4-ynoic acid tert-butyl ester Formula: C31H31N5O3 MolecularWeight: 521.60954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC#C)N1C(C(C1=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N=[N+]=[N-]

Isomeric SMILES

CC(C)(C)OC(=O)C(CC#C)N1C(C(C1=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N=[N+]=[N-]

InChI

InChI=1S/C31H31N5O3/c1-5-15-25(29(38)39-30(2,3)4)36-27(34-35-32)26(28(36)37)33-31(22-16-9-6-10-17-22,23-18-11-7-12-19-23)24-20-13-8-14-21-24/h1,6-14,16-21,25-27,33H,15H2,2-4H3