ethyl 2-[(6S)-2,2-dimethyl-7-oxidanylidene-6-[(triphenylmethyl)amino]azepan-1-yl]ethanoate

Systemtic Name: ethyl 2-[(6S)-2,2-dimethyl-7-oxidanylidene-6-[(triphenylmethyl)amino]azepan-1-yl]ethanoate Openeye Name: ethyl 2-[(6S)-2,2-dimethyl-7-oxo-6-(tritylamino)azepan-1-yl]acetate CAS Name: 2-[(6S)-2,2-dimethyl-7-oxo-6-[(triphenylmethyl)amino]-1-azepanyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(6S)-2,2-dimethyl-7-oxo-6-(tritylamino)azepan-1-yl]acetate Traditional Name: 2-[(6S)-7-keto-2,2-dimethyl-6-(tritylamino)azepan-1-yl]acetic acid ethyl ester Formula: C31H36N2O3 MolecularWeight: 484.62914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(CCCC1(C)C)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C(=O)[C@H](CCCC1(C)C)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H36N2O3/c1-4-36-28(34)23-33-29(35)27(21-14-22-30(33,2)3)32-31(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20,27,32H,4,14,21-23H2,1-3H3/t27-/m0/s1