ethyl (2S,3S,4S)-3-methanoyl-2-[(4-methoxyphenyl)amino]-4,8-dimethyl-non-7-enoate

Systemtic Name: ethyl (2S,3S,4S)-3-methanoyl-2-[(4-methoxyphenyl)amino]-4,8-dimethyl-non-7-enoate Openeye Name: ethyl (2S,3S,4S)-3-formyl-2-(4-methoxyanilino)-4,8-dimethyl-non-7-enoate CAS Name: (2S,3S,4S)-3-formyl-2-(4-methoxyanilino)-4,8-dimethyl-7-nonenoic acid ethyl ester IUPAC Name: ethyl (2S,3S,4S)-3-formyl-2-(4-methoxyanilino)-4,8-dimethylnon-7-enoate Traditional Name: (2S,3S,4S)-3-formyl-4,8-dimethyl-2-(p-anisidino)non-7-enoic acid ethyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C=O)C(C)CCC=C(C)C)NC1=CC=C(C=C1)OC

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](C=O)[C@@H](C)CCC=C(C)C)NC1=CC=C(C=C1)OC

InChI

InChI=1S/C21H31NO4/c1-6-26-21(24)20(22-17-10-12-18(25-5)13-11-17)19(14-23)16(4)9-7-8-15(2)3/h8,10-14,16,19-20,22H,6-7,9H2,1-5H3/t16-,19-,20-/m0/s1