[(Z)-[2-acetyloxy-1-azanyl-5-[1-(phenylmethyl)piperidin-4-yl]pentylidene]amino] 4-nitrobenzoate

Systemtic Name: [(Z)-[2-acetyloxy-1-azanyl-5-[1-(phenylmethyl)piperidin-4-yl]pentylidene]amino] 4-nitrobenzoate Openeye Name: [(Z)-[2-acetoxy-1-amino-5-(1-benzyl-4-piperidyl)pentylidene]amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(Z)-[2-acetyloxy-1-amino-5-[1-(phenylmethyl)-4-piperidinyl]pentylidene]amino] ester IUPAC Name: [(Z)-[2-acetyloxy-1-amino-5-(1-benzylpiperidin-4-yl)pentylidene]amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(Z)-[2-acetoxy-1-amino-5-(1-benzyl-4-piperidyl)pentylidene]amino] ester Formula: C26H32N4O6 MolecularWeight: 496.55548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCC1CCN(CC1)CC2=CC=CC=C2)C(=NOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CC(=O)OC(CCCC1CCN(CC1)CC2=CC=CC=C2)/C(=N/OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/N

InChI

InChI=1S/C26H32N4O6/c1-19(31)35-24(25(27)28-36-26(32)22-10-12-23(13-11-22)30(33)34)9-5-8-20-14-16-29(17-15-20)18-21-6-3-2-4-7-21/h2-4,6-7,10-13,20,24H,5,8-9,14-18H2,1H3,(H2,27,28)