methyl 1-butyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 1-butyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 1-butyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 1-butyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 1-butyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 1-butyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)OCCOCCC)C(=O)OC

Isomeric SMILES

CCCCN1CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)OCCOCCC)C(=O)OC

InChI

InChI=1S/C27H35NO4/c1-4-6-14-28-15-13-23(27(29)30-3)20-24-19-22(9-12-26(24)28)21-7-10-25(11-8-21)32-18-17-31-16-5-2/h7-12,19-20H,4-6,13-18H2,1-3H3