ethyl (2S)-2-[(9-butylpyrido[3,4-b]indol-3-yl)carbamoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[(9-butylpyrido[3,4-b]indol-3-yl)carbamoylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[(9-butylpyrido[3,4-b]indol-3-yl)carbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[(9-butyl-3-pyrido[3,4-b]indolyl)amino]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(9-butylpyrido[3,4-b]indol-3-yl)carbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(9-butyl-$b-carbolin-3-yl)carbamoylamino]-3-phenyl-propionic acid ethyl ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=CC(=NC=C31)NC(=O)NC(CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=CC(=NC=C31)NC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C27H30N4O3/c1-3-5-15-31-23-14-10-9-13-20(23)21-17-25(28-18-24(21)31)30-27(33)29-22(26(32)34-4-2)16-19-11-7-6-8-12-19/h6-14,17-18,22H,3-5,15-16H2,1-2H3,(H2,28,29,30,33)/t22-/m0/s1