ethyl (5S)-5-[bis(phenylmethyl)amino]-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxidanylidene-heptanoate

Systemtic Name: ethyl (5S)-5-[bis(phenylmethyl)amino]-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxidanylidene-heptanoate Openeye Name: ethyl (5S)-5-(dibenzylamino)-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-heptanoate CAS Name: (5S)-5-[bis(phenylmethyl)amino]-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid ethyl ester IUPAC Name: ethyl (5S)-5-(dibenzylamino)-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoate Traditional Name: (5S)-5-(dibenzylamino)-2-(4-fluorobenzyl)-4-keto-6-methyl-enanthic acid ethyl ester Formula: C31H36FNO3 MolecularWeight: 489.620843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)F)CC(=O)C(C(C)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)F)CC(=O)[C@H](C(C)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C31H36FNO3/c1-4-36-31(35)27(19-24-15-17-28(32)18-16-24)20-29(34)30(23(2)3)33(21-25-11-7-5-8-12-25)22-26-13-9-6-10-14-26/h5-18,23,27,30H,4,19-22H2,1-3H3/t27?,30-/m0/s1