[2-azanyl-3-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]-4-[(4-phenylphenyl)methoxy]cyclopentyl] benzoate

Systemtic Name: [2-azanyl-3-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]-4-[(4-phenylphenyl)methoxy]cyclopentyl] benzoate Openeye Name: [2-amino-3-[(E)-7-methoxy-7-oxo-hept-2-enyl]-4-[(4-phenylphenyl)methoxy]cyclopentyl] benzoate CAS Name: benzoic acid [2-amino-3-[(E)-7-methoxy-7-oxohept-2-enyl]-4-[(4-phenylphenyl)methoxy]cyclopentyl] ester IUPAC Name: [2-amino-3-[(E)-7-methoxy-7-oxohept-2-enyl]-4-[(4-phenylphenyl)methoxy]cyclopentyl] benzoate Traditional Name: benzoic acid [2-amino-3-[(E)-7-keto-7-methoxy-hept-2-enyl]-4-(4-phenylbenzyl)oxy-cyclopentyl] ester Formula: C33H37NO5 MolecularWeight: 527.65058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC1C(CC(C1N)OC(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCC/C=C/CC1C(CC(C1N)OC(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H37NO5/c1-37-31(35)17-11-3-2-10-16-28-29(22-30(32(28)34)39-33(36)27-14-8-5-9-15-27)38-23-24-18-20-26(21-19-24)25-12-6-4-7-13-25/h2,4-10,12-15,18-21,28-30,32H,3,11,16-17,22-23,34H2,1H3/b10-2+