methyl (2S)-2-(1-adamantyl)-2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]ethanoate

Systemtic Name: methyl (2S)-2-(1-adamantyl)-2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]ethanoate Openeye Name: methyl (2S)-2-(1-adamantyl)-2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]acetate CAS Name: (2S)-2-(1-adamantyl)-2-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]acetic acid methyl ester IUPAC Name: methyl (2S)-2-(1-adamantyl)-2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]acetate Traditional Name: (2S)-2-(1-adamantyl)-2-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]acetic acid methyl ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C12CC3CC(C1)CC(C3)C2)NC=C4C=C(C=CC4=O)Br

Isomeric SMILES

COC(=O)[C@H](C12CC3CC(C1)CC(C3)C2)NC=C4C=C(C=CC4=O)Br

InChI

InChI=1S/C20H24BrNO3/c1-25-19(24)18(22-11-15-7-16(21)2-3-17(15)23)20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,11-14,18,22H,4-6,8-10H2,1H3/t12?,13?,14?,18-,20?/m1/s1