[(Z)-[(2R)-1-azanyl-2-(phenylmethoxycarbonylamino)propylidene]amino] 4-octylbenzoate

Systemtic Name: [(Z)-[(2R)-1-azanyl-2-(phenylmethoxycarbonylamino)propylidene]amino] 4-octylbenzoate Openeye Name: [(Z)-[(2R)-1-amino-2-(benzyloxycarbonylamino)propylidene]amino] 4-octylbenzoate CAS Name: 4-octylbenzoic acid [(Z)-[(2R)-1-amino-2-(phenylmethoxycarbonylamino)propylidene]amino] ester IUPAC Name: [(Z)-[(2R)-1-amino-2-(phenylmethoxycarbonylamino)propylidene]amino] 4-octylbenzoate Traditional Name: 4-octylbenzoic acid [(Z)-[(2R)-1-amino-2-(benzyloxycarbonylamino)propylidene]amino] ester Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)ON=C(C(C)NC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)O/N=C(/[C@@H](C)NC(=O)OCC2=CC=CC=C2)\N

InChI

InChI=1S/C26H35N3O4/c1-3-4-5-6-7-9-12-21-15-17-23(18-16-21)25(30)33-29-24(27)20(2)28-26(31)32-19-22-13-10-8-11-14-22/h8,10-11,13-18,20H,3-7,9,12,19H2,1-2H3,(H2,27,29)(H,28,31)/t20-/m1/s1