3-[2-[(4-chlorophenyl)-pyridin-2-yl-methyl]-1,4-diazepan-1-yl]-2-ethoxy-naphthalene-1-carboxylic acid

Systemtic Name: 3-[2-[(4-chlorophenyl)-pyridin-2-yl-methyl]-1,4-diazepan-1-yl]-2-ethoxy-naphthalene-1-carboxylic acid Openeye Name: 3-[2-[(4-chlorophenyl)-(2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-ethoxy-naphthalene-1-carboxylic acid CAS Name: 3-[2-[(4-chlorophenyl)-(2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-ethoxy-1-naphthalenecarboxylic acid IUPAC Name: 3-[2-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1,4-diazepan-1-yl]-2-ethoxynaphthalene-1-carboxylic acid Traditional Name: 3-[2-[(4-chlorophenyl)-(2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-ethoxy-1-naphthoic acid Formula: C30H30ClN3O3 MolecularWeight: 516.0305

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1N3CCCNCC3C(C4=CC=C(C=C4)Cl)C5=CC=CC=N5)C(=O)O

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1N3CCCNCC3C(C4=CC=C(C=C4)Cl)C5=CC=CC=N5)C(=O)O

InChI

InChI=1S/C30H30ClN3O3/c1-2-37-29-25(18-21-8-3-4-9-23(21)28(29)30(35)36)34-17-7-15-32-19-26(34)27(24-10-5-6-16-33-24)20-11-13-22(31)14-12-20/h3-6,8-14,16,18,26-27,32H,2,7,15,17,19H2,1H3,(H,35,36)