methyl 4-azanyl-1-butyl-2-methyl-5-phenyl-pyrrole-3-carboxylate hydrochloride

Systemtic Name: methyl 4-azanyl-1-butyl-2-methyl-5-phenyl-pyrrole-3-carboxylate hydrochloride Openeye Name: methyl 4-amino-1-butyl-2-methyl-5-phenyl-pyrrole-3-carboxylate hydrochloride CAS Name: 4-amino-1-butyl-2-methyl-5-phenyl-3-pyrrolecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-amino-1-butyl-2-methyl-5-phenylpyrrole-3-carboxylate hydrochloride Traditional Name: 4-amino-1-butyl-2-methyl-5-phenyl-pyrrole-3-carboxylic acid methyl ester hydrochloride Formula: C17H23ClN2O2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1C2=CC=CC=C2)N)C(=O)OC)C.Cl

Isomeric SMILES

CCCCN1C(=C(C(=C1C2=CC=CC=C2)N)C(=O)OC)C.Cl

InChI

InChI=1S/C17H22N2O2.ClH/c1-4-5-11-19-12(2)14(17(20)21-3)15(18)16(19)13-9-7-6-8-10-13;/h6-10H,4-5,11,18H2,1-3H3;1H