methyl (2S)-2-(1-adamantyl)-2-[(4-bromophenyl)methylideneamino]ethanoate

Systemtic Name: methyl (2S)-2-(1-adamantyl)-2-[(4-bromophenyl)methylideneamino]ethanoate Openeye Name: methyl (2S)-2-(1-adamantyl)-2-[(4-bromophenyl)methyleneamino]acetate CAS Name: (2S)-2-(1-adamantyl)-2-[(4-bromophenyl)methylideneamino]acetic acid methyl ester IUPAC Name: methyl (2S)-2-(1-adamantyl)-2-[(4-bromophenyl)methylideneamino]acetate Traditional Name: (2S)-2-(1-adamantyl)-2-[(4-bromobenzylidene)amino]acetic acid methyl ester Formula: C20H24BrNO2 MolecularWeight: 390.31406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C12CC3CC(C1)CC(C3)C2)N=CC4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)[C@H](C12CC3CC(C1)CC(C3)C2)N=CC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H24BrNO2/c1-24-19(23)18(22-12-13-2-4-17(21)5-3-13)20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,12,14-16,18H,6-11H2,1H3/t14?,15?,16?,18-,20?/m1/s1