methyl 1-(hydroxymethyl)-7-phenylmethoxy-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate

Systemtic Name: methyl 1-(hydroxymethyl)-7-phenylmethoxy-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate Openeye Name: methyl 7-benzyloxy-1-(hydroxymethyl)-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate CAS Name: 1-(hydroxymethyl)-7-phenylmethoxy-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 1-(hydroxymethyl)-7-phenylmethoxy-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate Traditional Name: 7-benzoxy-1-methylol-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylic acid methyl ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4)CO

Isomeric SMILES

COC(=O)C1CCCN(C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4)CO

InChI

InChI=1S/C24H25NO4/c1-28-24(27)20-12-7-13-25(16-26)23-19-11-6-5-10-18(19)22(14-21(20)23)29-15-17-8-3-2-4-9-17/h2-6,8-11,14,20,26H,7,12-13,15-16H2,1H3