[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino] (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoate

Systemtic Name: [(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino] (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoate Openeye Name: [(E)-1-[4-(1-piperidyl)phenyl]ethylideneamino] (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-phenylpropanoic acid [(E)-1-[4-(1-piperidinyl)phenyl]ethylideneamino] ester IUPAC Name: [(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino] (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propionic acid [(E)-1-(4-piperidinophenyl)ethylideneamino] ester Formula: C37H37N3O4 MolecularWeight: 587.70738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=C(C=C5)N6CCCCC6

Isomeric SMILES

C/C(=N\OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)/C5=CC=C(C=C5)N6CCCCC6

InChI

InChI=1S/C37H37N3O4/c1-26(28-18-20-29(21-19-28)40-22-10-3-11-23-40)39-44-36(41)35(24-27-12-4-2-5-13-27)38-37(42)43-25-34-32-16-8-6-14-30(32)31-15-7-9-17-33(31)34/h2,4-9,12-21,34-35H,3,10-11,22-25H2,1H3,(H,38,42)/b39-26+/t35-/m0/s1