methyl (2S)-2-[(9-butylpyrido[3,4-b]indol-3-yl)carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(9-butylpyrido[3,4-b]indol-3-yl)carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(9-butylpyrido[3,4-b]indole-3-carbonyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(9-butyl-3-pyrido[3,4-b]indolyl)-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(9-butylpyrido[3,4-b]indole-3-carbonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(9-butyl-$b-carboline-3-carbonyl)amino]-3-methyl-butyric acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=CC(=NC=C31)C(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=CC(=NC=C31)C(=O)N[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C22H27N3O3/c1-5-6-11-25-18-10-8-7-9-15(18)16-12-17(23-13-19(16)25)21(26)24-20(14(2)3)22(27)28-4/h7-10,12-14,20H,5-6,11H2,1-4H3,(H,24,26)/t20-/m0/s1