[9-chloranyl-5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-8-(3-phenylpropanoyloxy)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 3-phenylpropanoate

Systemtic Name: [9-chloranyl-5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-8-(3-phenylpropanoyloxy)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 3-phenylpropanoate Openeye Name: [9-chloro-5-indan-5-yl-3-methyl-8-(3-phenylpropanoyloxy)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [9-chloro-5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-8-(1-oxo-3-phenylpropoxy)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: [9-chloro-5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-8-(3-phenylpropanoyloxy)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (9-chloro-8-hydrocinnamoyloxy-5-indan-5-yl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester Formula: C38H38ClNO4 MolecularWeight: 608.16562

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC4=C(CCC4)C=C3)OC(=O)CCC5=CC=CC=C5)OC(=O)CCC6=CC=CC=C6)Cl

Isomeric SMILES

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC4=C(CCC4)C=C3)OC(=O)CCC5=CC=CC=C5)OC(=O)CCC6=CC=CC=C6)Cl

InChI

InChI=1S/C38H38ClNO4/c1-40-22-21-31-32(33(25-40)30-18-17-28-13-8-14-29(28)23-30)24-34(43-35(41)19-15-26-9-4-2-5-10-26)38(37(31)39)44-36(42)20-16-27-11-6-3-7-12-27/h2-7,9-12,17-18,23-24,33H,8,13-16,19-22,25H2,1H3