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

Systemtic Name: ethyl (E,2S,3S)-3-methanoyl-2-[(4-prop-2-ynoxyphenyl)amino]undec-5-enoate Openeye Name: ethyl (E,2S,3S)-3-formyl-2-(4-prop-2-ynoxyanilino)undec-5-enoate CAS Name: (E,2S,3S)-3-formyl-2-(4-prop-2-ynoxyanilino)-5-undecenoic acid ethyl ester IUPAC Name: ethyl (E,2S,3S)-3-formyl-2-(4-prop-2-ynoxyanilino)undec-5-enoate Traditional Name: (E,2S,3S)-3-formyl-2-(4-propargyloxyanilino)undec-5-enoic acid ethyl ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4/c1-4-7-8-9-10-11-12-19(18-25)22(23(26)27-6-3)24-20-13-15-21(16-14-20)28-17-5-2/h2,10-11,13-16,18-19,22,24H,4,6-9,12,17H2,1,3H3/b11-10+/t19-,22+/m1/s1