ethyl (E,2S,3S)-3-methanoyl-2-[(4-methoxyphenyl)amino]undec-5-enoate

Systemtic Name: ethyl (E,2S,3S)-3-methanoyl-2-[(4-methoxyphenyl)amino]undec-5-enoate Openeye Name: ethyl (E,2S,3S)-3-formyl-2-(4-methoxyanilino)undec-5-enoate CAS Name: (E,2S,3S)-3-formyl-2-(4-methoxyanilino)-5-undecenoic acid ethyl ester IUPAC Name: ethyl (E,2S,3S)-3-formyl-2-(4-methoxyanilino)undec-5-enoate Traditional Name: (E,2S,3S)-3-formyl-2-(p-anisidino)undec-5-enoic acid ethyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C=O)C(C(=O)OCC)NC1=CC=C(C=C1)OC

Isomeric SMILES

CCCCC/C=C/C[C@H](C=O)[C@@H](C(=O)OCC)NC1=CC=C(C=C1)OC

InChI

InChI=1S/C21H31NO4/c1-4-6-7-8-9-10-11-17(16-23)20(21(24)26-5-2)22-18-12-14-19(25-3)15-13-18/h9-10,12-17,20,22H,4-8,11H2,1-3H3/b10-9+/t17-,20+/m1/s1