methyl 4-[(2S)-2-[[(2S)-2-oxidanyl-2-phenyl-ethyl]amino]propyl]benzoate; (E)-4-oxidanylidenepent-2-enoic acid

Systemtic Name: methyl 4-[(2S)-2-[[(2S)-2-oxidanyl-2-phenyl-ethyl]amino]propyl]benzoate; (E)-4-oxidanylidenepent-2-enoic acid Openeye Name: methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]propyl]benzoate; (E)-4-oxopent-2-enoic acid CAS Name: 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoic acid methyl ester; (E)-4-oxo-2-pentenoic acid IUPAC Name: methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate; (E)-4-oxopent-2-enoic acid Traditional Name: 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]propyl]benzoic acid methyl ester; (E)-4-ketopent-2-enoic acid Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC=CC=C2)O.CC(=O)C=CC(=O)O

Isomeric SMILES

C[C@@H](CC1=CC=C(C=C1)C(=O)OC)NC[C@H](C2=CC=CC=C2)O.CC(=O)/C=C/C(=O)O

InChI

InChI=1S/C19H23NO3.C5H6O3/c1-14(20-13-18(21)16-6-4-3-5-7-16)12-15-8-10-17(11-9-15)19(22)23-2;1-4(6)2-3-5(7)8/h3-11,14,18,20-21H,12-13H2,1-2H3;2-3H,1H3,(H,7,8)/b;3-2+/t14-,18+;/m0./s1