2-[3-methanoyl-9-(3-phenylpropyl)-4aH-pyrido[3,4-b]indol-2-yl]ethyl (2S)-2-azanyl-3-phenyl-propanoate

Systemtic Name: 2-[3-methanoyl-9-(3-phenylpropyl)-4aH-pyrido[3,4-b]indol-2-yl]ethyl (2S)-2-azanyl-3-phenyl-propanoate Openeye Name: 2-[3-formyl-9-(3-phenylpropyl)-4aH-pyrido[3,4-b]indol-2-yl]ethyl (2S)-2-amino-3-phenyl-propanoate CAS Name: (2S)-2-amino-3-phenylpropanoic acid 2-[3-formyl-9-(3-phenylpropyl)-4aH-pyrido[3,4-b]indol-2-yl]ethyl ester IUPAC Name: 2-[3-formyl-9-(3-phenylpropyl)-4aH-pyrido[3,4-b]indol-2-yl]ethyl (2S)-2-amino-3-phenylpropanoate Traditional Name: (2S)-2-amino-3-phenyl-propionic acid 2-[3-formyl-9-(3-phenylpropyl)-4aH-$b-carbolin-2-yl]ethyl ester Formula: C32H33N3O3 MolecularWeight: 507.62272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C3=CC=CC=C3C4C2=CN(C(=C4)C=O)CCOC(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C3=CC=CC=C3C4C2=CN(C(=C4)C=O)CCOC(=O)[C@H](CC5=CC=CC=C5)N

InChI

InChI=1S/C32H33N3O3/c33-29(20-25-12-5-2-6-13-25)32(37)38-19-18-34-22-31-28(21-26(34)23-36)27-15-7-8-16-30(27)35(31)17-9-14-24-10-3-1-4-11-24/h1-8,10-13,15-16,21-23,28-29H,9,14,17-20,33H2/t28?,29-/m0/s1