(2R)-2-acetamido-4-methyl-pentanoic acid; (5S)-8-chloranyl-7-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Systemtic Name: (2R)-2-acetamido-4-methyl-pentanoic acid; (5S)-8-chloranyl-7-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine Openeye Name: (2R)-2-acetamido-4-methyl-pentanoic acid; (5S)-8-chloro-7-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine CAS Name: (2R)-2-acetamido-4-methylpentanoic acid; (5S)-8-chloro-7-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine IUPAC Name: (2R)-2-acetamido-4-methylpentanoic acid; (5S)-8-chloro-7-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine Traditional Name: (2R)-2-acetamido-4-methyl-valeric acid; (5S)-8-chloro-7-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine Formula: C25H33ClN2O4 MolecularWeight: 460.99352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C.COC1=C(C=C2CCNCC(C2=C1)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)C[C@H](C(=O)O)NC(=O)C.COC1=C(C=C2CCNC[C@H](C2=C1)C3=CC=CC=C3)Cl

InChI

InChI=1S/C17H18ClNO.C8H15NO3/c1-20-17-10-14-13(9-16(17)18)7-8-19-11-15(14)12-5-3-2-4-6-12;1-5(2)4-7(8(11)12)9-6(3)10/h2-6,9-10,15,19H,7-8,11H2,1H3;5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t15-;7-/m01/s1