methyl (7E)-10-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylate

Systemtic Name: methyl (7E)-10-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylate Openeye Name: methyl (7E)-10-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylate CAS Name: (7E)-10-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylic acid methyl ester IUPAC Name: methyl (7E)-10-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylate Traditional Name: (7E)-10-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylic acid methyl ester Formula: C30H41NO4 MolecularWeight: 479.65084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCCCCC(=C3)C(=O)OC)CCC

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC/3=C(C=C2)N(CCCCC/C(=C3)/C(=O)OC)CCC

InChI

InChI=1S/C30H41NO4/c1-4-6-19-34-20-21-35-28-14-11-24(12-15-28)25-13-16-29-27(22-25)23-26(30(32)33-3)10-8-7-9-18-31(29)17-5-2/h11-16,22-23H,4-10,17-21H2,1-3H3/b26-23+