[5-[[3-[[(E)-6-azanyl-6-methyl-2-oxidanylidene-hept-3-enyl]amino]-4-naphthalen-2-yl-2-oxidanylidene-butyl]amino]-4-oxidanyl-6-phenyl-hexyl] ethanoate

Systemtic Name: [5-[[3-[[(E)-6-azanyl-6-methyl-2-oxidanylidene-hept-3-enyl]amino]-4-naphthalen-2-yl-2-oxidanylidene-butyl]amino]-4-oxidanyl-6-phenyl-hexyl] ethanoate Openeye Name: [5-[[3-[[(E)-6-amino-6-methyl-2-oxo-hept-3-enyl]amino]-4-(2-naphthyl)-2-oxo-butyl]amino]-4-hydroxy-6-phenyl-hexyl] acetate CAS Name: acetic acid [5-[[3-[[(E)-6-amino-6-methyl-2-oxohept-3-enyl]amino]-4-(2-naphthalenyl)-2-oxobutyl]amino]-4-hydroxy-6-phenylhexyl] ester IUPAC Name: [5-[[3-[[(E)-6-amino-6-methyl-2-oxohept-3-enyl]amino]-4-naphthalen-2-yl-2-oxobutyl]amino]-4-hydroxy-6-phenylhexyl] acetate Traditional Name: acetic acid [5-[[3-[[(E)-6-amino-2-keto-6-methyl-hept-3-enyl]amino]-2-keto-4-(2-naphthyl)butyl]amino]-4-hydroxy-6-phenyl-hexyl] ester Formula: C36H47N3O5 MolecularWeight: 601.77548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC(C(CC1=CC=CC=C1)NCC(=O)C(CC2=CC3=CC=CC=C3C=C2)NCC(=O)C=CCC(C)(C)N)O

Isomeric SMILES

CC(=O)OCCCC(C(CC1=CC=CC=C1)NCC(=O)C(CC2=CC3=CC=CC=C3C=C2)NCC(=O)/C=C/CC(C)(C)N)O

InChI

InChI=1S/C36H47N3O5/c1-26(40)44-20-10-16-34(42)32(22-27-11-5-4-6-12-27)39-25-35(43)33(38-24-31(41)15-9-19-36(2,3)37)23-28-17-18-29-13-7-8-14-30(29)21-28/h4-9,11-15,17-18,21,32-34,38-39,42H,10,16,19-20,22-25,37H2,1-3H3/b15-9+