O1-ethyl O6-(phenylmethyl) (E,4S)-4-[(phenylmethyl)amino]hex-2-enedioate

Systemtic Name: O1-ethyl O6-(phenylmethyl) (E,4S)-4-[(phenylmethyl)amino]hex-2-enedioate Openeye Name: O6-benzyl O1-ethyl (E,4S)-4-(benzylamino)hex-2-enedioate CAS Name: (E,4S)-4-[(phenylmethyl)amino]-2-hexenedioic acid O1-ethyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-ethyl (E,4S)-4-(benzylamino)hex-2-enedioate Traditional Name: (E,4S)-4-(benzylamino)hex-2-enedioic acid O6-benzyl ester O1-ethyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC(=O)OCC1=CC=CC=C1)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CC(=O)OCC1=CC=CC=C1)NCC2=CC=CC=C2

InChI

InChI=1S/C22H25NO4/c1-2-26-21(24)14-13-20(23-16-18-9-5-3-6-10-18)15-22(25)27-17-19-11-7-4-8-12-19/h3-14,20,23H,2,15-17H2,1H3/b14-13+/t20-/m1/s1