ethyl (2S,3S)-2-[bis[(1S)-1-phenylethyl]amino]-4,4-dimethyl-3-oxidanyl-pentanoate

Systemtic Name: ethyl (2S,3S)-2-[bis[(1S)-1-phenylethyl]amino]-4,4-dimethyl-3-oxidanyl-pentanoate Openeye Name: ethyl (2S,3S)-2-[bis[(1S)-1-phenylethyl]amino]-3-hydroxy-4,4-dimethyl-pentanoate CAS Name: (2S,3S)-2-[bis[(1S)-1-phenylethyl]amino]-3-hydroxy-4,4-dimethylpentanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-2-[bis[(1S)-1-phenylethyl]amino]-3-hydroxy-4,4-dimethylpentanoate Traditional Name: (2S,3S)-2-[bis[(1S)-1-phenylethyl]amino]-3-hydroxy-4,4-dimethyl-valeric acid ethyl ester Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(C)(C)C)O)N(C(C)C1=CC=CC=C1)C(C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]([C@H](C(C)(C)C)O)N([C@@H](C)C1=CC=CC=C1)[C@@H](C)C2=CC=CC=C2

InChI

InChI=1S/C25H35NO3/c1-7-29-24(28)22(23(27)25(4,5)6)26(18(2)20-14-10-8-11-15-20)19(3)21-16-12-9-13-17-21/h8-19,22-23,27H,7H2,1-6H3/t18-,19-,22-,23+/m0/s1