1-[1-(phenylmethoxycarbonylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 1-[1-(phenylmethoxycarbonylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-[1-(benzyloxycarbonylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-[1-(phenylmethoxycarbonylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-[1-(phenylmethoxycarbonylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-[1-(benzyloxycarbonylamino)ethyl]-3,4-dihydro-2H-$b-carboline-3-carboxylic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=C3C=CC=CC3=N2)CC(N1)C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C1=C2C(=C3C=CC=CC3=N2)CC(N1)C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4/c1-13(23-22(28)29-12-14-7-3-2-4-8-14)19-20-16(11-18(25-19)21(26)27)15-9-5-6-10-17(15)24-20/h2-10,13,18,25H,11-12H2,1H3,(H,23,28)(H,26,27)