butyl 2-[7-oxidanylidene-4-(1-phenylmethoxypropan-2-yl)-6-(phenylmethyl)-3,6-dihydro-2H-azepin-1-yl]propanoate

Systemtic Name: butyl 2-[7-oxidanylidene-4-(1-phenylmethoxypropan-2-yl)-6-(phenylmethyl)-3,6-dihydro-2H-azepin-1-yl]propanoate Openeye Name: butyl 2-[6-benzyl-4-(2-benzyloxy-1-methyl-ethyl)-7-oxo-3,6-dihydro-2H-azepin-1-yl]propanoate CAS Name: 2-[7-oxo-4-(1-phenylmethoxypropan-2-yl)-6-(phenylmethyl)-3,6-dihydro-2H-azepin-1-yl]propanoic acid butyl ester IUPAC Name: butyl 2-[6-benzyl-7-oxo-4-(1-phenylmethoxypropan-2-yl)-3,6-dihydro-2H-azepin-1-yl]propanoate Traditional Name: 2-[4-(2-benzoxy-1-methyl-ethyl)-6-benzyl-7-keto-3,6-dihydro-2H-azepin-1-yl]propionic acid butyl ester Formula: C30H39NO4 MolecularWeight: 477.63496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)N1CCC(=CC(C1=O)CC2=CC=CC=C2)C(C)COCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C(C)N1CCC(=CC(C1=O)CC2=CC=CC=C2)C(C)COCC3=CC=CC=C3

InChI

InChI=1S/C30H39NO4/c1-4-5-18-35-30(33)24(3)31-17-16-27(23(2)21-34-22-26-14-10-7-11-15-26)20-28(29(31)32)19-25-12-8-6-9-13-25/h6-15,20,23-24,28H,4-5,16-19,21-22H2,1-3H3